Basic information
- CAS
133118-24-8- Standard SMILES
CCN(CC)C1=Nc2ccccc2-n2c(C)nnc2C1- InChIKey
OKQSWAGCGMUDII-UHFFFAOYSA-N- Molecular formula
- C15H19N5
- Average molar mass
- 269.34 g/mol
- Monoisotopic mass
- 269.16404563
Names & identifiers
- Preferred name
- 4H-(1,2,4)Triazolo(4,3-a)(1,5)benzodiazepin-5-amine, N,N-diethyl-1-methyl
- IUPAC
- N,N-diethyl-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-amine
Names & synonyms
BRN 4195141N,N-Diethyl-1-methyl-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-methyl133118-24-8DTXSID40157966N,N-diethyl-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-amineRefChem:296859DTXCID5080457
Database identifiers
- CAS
133118-24-8- PubChem CID
- 3076971
- DTXSID
DTXSID40157966- Nikkaji
- J358.158F
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 46.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 365
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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