4H-(1,2,4)Triazolo(4,3-a)(1,5)benzodiazepin-5-amine, N,N-dimethyl-
Basic information
- CAS
133118-20-4- Standard SMILES
CN(C)C1=Nc2ccccc2-n2cnnc2C1- InChIKey
WEUBMSDPVVGMTL-UHFFFAOYSA-N- Molecular formula
- C12H13N5
- Average molar mass
- 227.27 g/mol
- Monoisotopic mass
- 227.11709544
Names & identifiers
- Preferred name
- 4H-(1,2,4)Triazolo(4,3-a)(1,5)benzodiazepin-5-amine, N,N-dimethyl-
- IUPAC
- N,N-dimethyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-amine
Names & synonyms
BRN 41894044H-(1,2,4)Triazolo(4,3-a)(1,5)benzodiazepin-5-amine, N,N-dimethyl-133118-20-4DTXSID00157962N,N-Dimethyl-4H-(1,2,4)triazolo(4,3-a)(1,5)benzodiazepin-5-amineN,N-dimethyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-amineRefChem:296861DTXCID5080453
Database identifiers
- CAS
133118-20-4- PubChem CID
- 3076967
- DTXSID
DTXSID00157962- Nikkaji
- J358.154C
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 46.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 314
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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