Basic information
- CAS
133118-25-9- Standard SMILES
CCN(CC)C1=Nc2ccccc2-n2c(nnc2-c2ccccc2)C1- InChIKey
GYOSOHLMYLAMFB-UHFFFAOYSA-N- Molecular formula
- C20H21N5
- Average molar mass
- 331.4 g/mol
- Monoisotopic mass
- 331.17969569
Names & identifiers
- Preferred name
- 4H-(1,2,4)Triazolo(4,3-a)(1,5)benzodiazepin-5-amine, N,N-diethyl-1-phenyl-
- IUPAC
- N,N-diethyl-1-phenyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-amine
- English name
- 4H-(1,2,4)Triazolo(4,3-a)(1,5)benzodiazepin-5-amine, N,N-diethyl-1-phe nyl-
- Molecular formula
- C20H21N5
- Molecular weight
- 331.41
Names & synonyms
133118-25-9N,N-Diethyl-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, N,N-diethyl-1-phenyl-N,N-diethyl-1-phenyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-amineDTXSID00157967RefChem:296860DTXCID00804584H-(1,2,4)Triazolo(4,3-a)(1,5)benzodiazepin-5-amine, N,N-diethyl-1-phe nyl-
Database identifiers
- CAS
133118-25-9- PubChem CID
- 3076972
- DTXSID
DTXSID00157967- Nikkaji
- J358.159D
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 46.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 469
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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