4H-(1,2,4)Triazolo(4,3-a)(1,5)benzodiazepin-5-amine, N,N-dimethyl-1-phenyl-
Basic information
- CAS
133118-22-6- Standard SMILES
CN(C)C1=Nc2ccccc2-n2c(nnc2-c2ccccc2)C1- InChIKey
GXNMIPBIXDHBTM-UHFFFAOYSA-N- Molecular formula
- C18H17N5
- Average molar mass
- 303.4 g/mol
- Monoisotopic mass
- 303.14839556
Names & identifiers
- Preferred name
- 4H-(1,2,4)Triazolo(4,3-a)(1,5)benzodiazepin-5-amine, N,N-dimethyl-1-phenyl-
- IUPAC
- N,N-dimethyl-1-phenyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-amine
Names & synonyms
BRN 42014064H-(1,2,4)Triazolo(4,3-a)(1,5)benzodiazepin-5-amine, N,N-dimethyl-1-phenyl-133118-22-6N,N-Dimethyl-1-phenyl-4H-(1,2,4)triazolo(4,3-a)(1,5)benzodiazepin-5-amineDTXSID20157964N,N-dimethyl-1-phenyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-amineRefChem:296862DTXCID5080455
Database identifiers
- CAS
133118-22-6- PubChem CID
- 3076969
- DTXSID
DTXSID20157964- Nikkaji
- J358.156J
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 46.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 443
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Compound notes
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