Isoquinoline-6-carbohydrazide

HCID 57950576

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: NNC(=O)c1ccc2cnccc2c1
InChIKey: XBKXYNLCCIWITL-UHFFFAOYSA-N
Molecular formula: C10H9N3O
Average molar mass: 187.2 g/mol
Monoisotopic mass: 187.07456192

Names & identifiers

Preferred name: Isoquinoline-6-carbohydrazide
IUPAC: isoquinoline-6-carbohydrazide

Names & synonyms

isoquinoline-6-carbohydrazide1015068-44-6Isoquinoline-6-carboxylic acid hydrazideSCHEMBL1519811XBKXYNLCCIWITL-UHFFFAOYSA-NSB30118DA-16360CS-0439772Z1617997359

Database identifiers

PubChem CID: 57950576

Properties

Computed structural properties

XLogP: 0.8
Topological polar surface area: 68 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 14
Formal charge: 0
Complexity: 219

Related reactions

3 records

New reaction record

HRID 184393As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 598812As productuspto-grants-2011_03

HRID 598813As reactantuspto-grants-2011_03

Compound notes

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