3,7-Dihydro-4H-imidazo(4,5-d)-1,2,3-triazin-4-one

Details

• Internal ID: 1d11e6fe-4fff-4e94-bd0a-47f442173e91
• Taxonomy: Organoheterocyclic compounds > Triazines > Aminotriazines
• IUPAC Name: 3,5-dihydroimidazo[4,5-d]triazin-4-one
• InChI: InChI=1S/C4H3N5O/c10-4-2-3(6-1-5-2)7-9-8-4/h1H,(H2,5,6,7,8,10)
• InChI Key: BTERLCQQBYXVIN-UHFFFAOYSA-N
• Popularity: 30 references in papers

Physical and Chemical Properties

• Molecular Formula: C₄H₃N₅O
• Molecular Weight: 137.10 g/mol
• Exact Mass: 137.03375974 g/mol
• Topological Polar Surface Area (TPSA): 82.50 Ų
• XlogP: 0.20

Synonyms

• 2-Azahypoxanthine
• Dacarbazine Impurity A
• 1,5-dihydro-4H-imidazo[4,5-d]-1,2,3-triazin-4-one
• 3H,4H,7H-imidazo[4,5-d][1,2,3]triazin-4-one
• 3,5-dihydroimidazo[4,5-d]triazin-4-one
• 3H-Imidazo[4,5-d][1,2,3]triazin-4(7H)-one
• TGZ8A8PWEX
• 4H-Imidazo[4,5-d]-1,2,3-triazin-4-one, 1,5-dihydro-
• MFCD19216826
• NSC-22419
• 3,7-dihydro-4H-imidazo[4,5-d][1,2,3]triazin-4-one
• UNII-TGZ8A8PWEX
• NSC 22419
• Dacarbazine EP Impurity A
• 1,5-Dihydro-4H-imidazo(4,5-d)-1,2,3-triazin-4-one
• 3,7-Dihydro-4H-imidazo[4,5-d]-1,2,3-triazin-4-one
• 4H-Imidazo(4,5-d)-1,2,3-triazin-4-one, 1,5-dihydro-
• 3,7-DIHYDRO-4H-IMIDAZO(4,5-D)-1,2,3-TRIAZIN-4-ONE
• EINECS 225-096-3
• SCHEMBL2473003
• 4H-Imidazo[4, 3,7-dihydro-
• DTXSID00963606
• NSC22419
• AKOS006349707
• AKOS028108945
• GS-0021
• AC-30425
• imidazo-[4,5-d]-v-triazin-4(3h)-one
• SY124591
• 7H-Imidazo[4,5-d][1,2,3]triazin-4-ol
• CS-0037139
• DACARBAZINE IMPURITY A [EP IMPURITY]
• FT-0662365
• TEMOZOLOMIDE IMPURITY E [EP IMPURITY]
• EN300-208225
• 4H-Imidazo[4,2,3-triazin-4-one, 1,5-dihydro-
• 3,7-dihydroimidazo[4,5-d][1,2,3]triazin-4-one
• 3,7-dihydro-imidazo[4,5-e][1,2,3]triazin-4-one
• 4H-Imidazo(4,5-d)-v-triazin-4-one, 3,7-dihydro-
• Q27289957
• Z1203731027
• 3,7-Dihydro-4H-imidazo[4,5-d]-1,2,3-triazin-4-one Sodium Salt
• 4A,5-DIHYDRO-4H-IMIDAZO(4,5-D)(1,2,3)TRIAZIN-4-ONE
• 4H-IMIDAZO(4,5-D)-1,2,3-TRIAZIN-4-ONE, 3,7-DIHYDRO-
• TEMOZOLOMIDE IMPURITY, 2-AZAHYPOXANTHINE- [USP IMPURITY]
• 2-Azahypoxanthine; 3,7-dihydro-4H-imidazo[4,5-d]-1,2,3-triazin-4-one

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	88.61%	94.45%
CHEMBL1293267	Q9HC97	G-protein coupled receptor 35	88.39%	89.34%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	88.05%	95.56%
CHEMBL1937	Q92769	Histone deacetylase 2	86.45%	94.75%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	84.87%	99.23%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	83.39%	94.00%
CHEMBL2535	P11166	Glucose transporter	80.02%	98.75%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 135421876
• LOTUS: LTS0093534
• wikiData: Q27289957