4H-(1,2,4)Triazolo(4,3-a)(1,5)benzodiazepin-5-amine, 1-phenyl-N,N,4-trimethyl-
Basic information
- CAS
133118-18-0- Standard SMILES
CC1C(N(C)C)=Nc2ccccc2-n2c(-c3ccccc3)nnc21- InChIKey
QRPMJDZDYFAQLP-UHFFFAOYSA-N- Molecular formula
- C19H19N5
- Average molar mass
- 317.4 g/mol
- Monoisotopic mass
- 317.16404563
Names & identifiers
- Preferred name
- 4H-(1,2,4)Triazolo(4,3-a)(1,5)benzodiazepin-5-amine, 1-phenyl-N,N,4-trimethyl-
- IUPAC
- N,N,4-trimethyl-1-phenyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-amine
Names & synonyms
BRN 4204004N,N,4-Trimethyl-1-phenyl-4H-(1,2,4)triazolo(4,3-a)(1,5)benzodiazepin-5-amine4H-(1,2,4)Triazolo(4,3-a)(1,5)benzodiazepin-5-amine, 1-phenyl-N,N,4-trimethyl-DTXSID50927950N,N,4-trimethyl-1-phenyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-amineRefChem:296853DTXCID901356728133118-18-0
Database identifiers
- CAS
133118-18-0- PubChem CID
- 3076965
- DTXSID
DTXSID50927950- Nikkaji
- J358.152G
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 46.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 470
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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