3-[(2,4-Diaminopyrimidin-5-yl)methyl]-1,2,3-benzotriazin-4(3h)-one
Basic information
- CAS
56742-19-9- Standard SMILES
Nc1ncc(Cn2nnc3ccccc3c2=O)c(N)n1- InChIKey
QOWIAVATQZMSOI-UHFFFAOYSA-N- Molecular formula
- C12H11N7O
- Average molar mass
- 269.26 g/mol
- Monoisotopic mass
- 269.102508
Names & identifiers
- Preferred name
- 3-[(2,4-Diaminopyrimidin-5-yl)methyl]-1,2,3-benzotriazin-4(3h)-one
- IUPAC
- 3-[(2,4-diaminopyrimidin-5-yl)methyl]-1,2,3-benzotriazin-4-one
Names & synonyms
56742-19-93-((2,4-Diaminopyrimidin-5-yl)methyl)benzo[d][1,2,3]triazin-4(3H)-one3-[(2,4-diaminopyrimidin-5-yl)methyl]-1,2,3-benzotriazin-4(3h)-oneNSC149040DTXSID40302156NSC-149040
Database identifiers
- CAS
56742-19-9- PubChem CID
- 288276
- DTXSID
DTXSID40302156
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 401
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Related reactions
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Compound notes
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