4H-(1,2,4)Triazolo(4,3-a)(1,5)benzodiazepine, 1-methyl-5-(4-methyl-1-piperazinyl)-
Basic information
- CAS
137731-17-0- Standard SMILES
Cc1nnc2n1-c1ccccc1N=C(N1CCN(C)CC1)C2- InChIKey
ZCFCNSSAQXUJHC-UHFFFAOYSA-N- Molecular formula
- C16H20N6
- Average molar mass
- 296.37 g/mol
- Monoisotopic mass
- 296.17494466
Names & identifiers
- Preferred name
- 4H-(1,2,4)Triazolo(4,3-a)(1,5)benzodiazepine, 1-methyl-5-(4-methyl-1-piperazinyl)-
- IUPAC
- 1-methyl-5-(4-methylpiperazin-1-yl)-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine
Names & synonyms
BRN 48194454H-(1,2,4)Triazolo(4,3-a)(1,5)benzodiazepine, 1-methyl-5-(4-methyl-1-piperazinyl)-137731-17-01-Methyl-5-(4-methyl-1-piperazinyl)-4H-(1,2,4)triazolo(4,3-a)(1,5)benzodiazepineDTXSID70160286RefChem:296867DTXCID60827771-methyl-5-(4-methylpiperazin-1-yl)-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine
Database identifiers
- CAS
137731-17-0- PubChem CID
- 3071561
- DTXSID
DTXSID70160286- Nikkaji
- J425.859B
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 49.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 430
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Related reactions
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Compound notes
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