8-Nitro-1-(aminomethyl)-6-(o-chlorophenyl)4H-s-triazolo[4,3-a][1,4]benzodiazepine

HCID 21551887
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Basic information

Standard SMILES
NCc1nnc2n1-c1ccc([N+](=O)[O-])cc1C(c1ccccc1Cl)=NC2
InChIKey
NNDPTCKZVDJINW-UHFFFAOYSA-N
Molecular formula
C17H13ClN6O2
Average molar mass
368.8 g/mol
Monoisotopic mass
368.0788514

Names & identifiers

Preferred name
8-Nitro-1-(aminomethyl)-6-(o-chlorophenyl)4H-s-triazolo[4,3-a][1,4]benzodiazepine
IUPAC
[6-(2-chlorophenyl)-8-nitro-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl]methanamine

Names & synonyms

SCHEMBL11864429NNDPTCKZVDJINW-UHFFFAOYSA-N8-nitro-1-(aminomethyl)-6-(o-chlorophenyl)-4H-s-triazolo[4,3-a][1,4]benzodiazepine8-Nitro-1-(aminomethyl)-6-(o-chlorophenyl)4H-s-triazolo[4,3-a][1,4]benzodiazepine

Database identifiers

PubChem CID
21551887

Properties

Computed structural properties

XLogP
0.1
Topological polar surface area
115 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
2
Heavy atoms
26

Related reactions

2 records
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Compound notes

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