4H-(1,2,4)Triazolo(4,3-a)(1,5)benzodiazepine, 1-phenyl-5-(1-pyrrolidinyl)-
Basic information
- CAS
133118-26-0- Standard SMILES
c1ccc(-c2nnc3n2-c2ccccc2N=C(N2CCCC2)C3)cc1- InChIKey
YVIPBKRUZNHNRC-UHFFFAOYSA-N- Molecular formula
- C20H19N5
- Average molar mass
- 329.4 g/mol
- Monoisotopic mass
- 329.16404563
Names & identifiers
- Preferred name
- 4H-(1,2,4)Triazolo(4,3-a)(1,5)benzodiazepine, 1-phenyl-5-(1-pyrrolidinyl)-
- IUPAC
- 1-phenyl-5-pyrrolidin-1-yl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine
Names & synonyms
BRN 42055104H-(1,2,4)Triazolo(4,3-a)(1,5)benzodiazepine, 1-phenyl-5-(1-pyrrolidinyl)-133118-26-01-Phenyl-5-(1-pyrrolidinyl)-4H-(1,2,4)triazolo(4,3-a)(1,5)benzodiazepineDTXSID60157968RefChem:296868DTXCID50804591-Phenyl-5-(pyrrolidin-1-yl)-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine
Database identifiers
- CAS
133118-26-0- PubChem CID
- 3076973
- DTXSID
DTXSID60157968- Nikkaji
- J358.160H
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 46.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 494
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Related reactions
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Compound notes
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