Benzamide, 4-(6-(1-pyrrolidinyl)-1,2,4-triazolo(3,4-a)phthalazin-3-yl)-
Basic information
- CAS
87540-31-6- Standard SMILES
NC(=O)c1ccc(-c2nnc3c4cccc(N5CCCC5)c4cnn23)cc1- InChIKey
AJNIVNDYHMWQKV-UHFFFAOYSA-N- Molecular formula
- C20H18N6O
- Average molar mass
- 358.4 g/mol
- Monoisotopic mass
- 358.15420922
Names & identifiers
- Preferred name
- Benzamide, 4-(6-(1-pyrrolidinyl)-1,2,4-triazolo(3,4-a)phthalazin-3-yl)-
- IUPAC
- 4-(7-pyrrolidin-1-yl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzamide
Names & synonyms
BRN 6443514BENZAMIDE, 4-(6-(1-PYRROLIDINYL)-1,2,4-TRIAZOLO(3,4-a)PHTHALAZIN-3-YL)-87540-31-6DTXSID302364114-(6-(1-Pyrrolidinyl)-1,2,4-triazolo(3,4-a)phthalazin-3-yl)benzamideRefChem:321580DTXCID301589024-[7-(pyrrolidin-1-yl)[1,2,4]triazolo[3,4-a]phthalazin-3-yl]benzamide
Database identifiers
- CAS
87540-31-6- PubChem CID
- 55725
- DTXSID
DTXSID30236411
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 89.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 545
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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