Basic information
- Standard SMILES
COc1ccc(-c2ccc3cnc(Nc4ccc5[nH]c(=O)[nH]c5c4)nn23)cn1- InChIKey
VYDAPSRXEDJZJJ-UHFFFAOYSA-N- Molecular formula
- C19H15N7O2
- Average molar mass
- 373.4 g/mol
- Monoisotopic mass
- 373.12872275
Names & identifiers
- Preferred name
- 5-[7-(6-Methoxy-pyridin-3-yl)-pyrrolo[2,1-f][1,2,4]triazin-2-ylamino]-1,3-dihydro-benzimidazol-2-one
- IUPAC
- 5-[[7-(6-methoxy-3-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-1,3-dihydrobenzimidazol-2-one
Names & synonyms
SCHEMBL521759VYDAPSRXEDJZJJ-UHFFFAOYSA-N5-[7-(6-Methoxy-pyridin-3-yl)-pyrrolo[2,1-f][1,2,4]triazin-2-ylamino]-1,3-dihydro-benzimidazol-2-one
Database identifiers
- PubChem CID
- 66712481
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 578
Related reactions
1 records
Compound notes
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