ISDA: 9IDD

Atom Indices

Bond Indices

Highlight Substructure

Structural Complex

Chemical ID: A1I2D

IUPAC Name: 2~{H}-indazole-6-carboxamide

Formal Charge: 0

Type: non-polymer

Substructure

Substruture Type: MurckoScaffold

SMILES: c1ccc2n[nH]cc2c1

InChI: InChI=1S/C7H6N2/c1-2-4-7-6(3-1)5-8-9-7/h1-5H,(H,8,9)

InChI Key: BAXOFTOLAUCFNW-UHFFFAOYSA-N

Physiochemical Descriptor:

Formula: C8 H7 N3 O

Molecular weight: 161.161

Hydrogen Bond Acceptor: 2

Hydrogen Bond Donor: 2

Rotatable Bonds: 1

Heavy Atoms: 12

Systematic name

Program	Version	Descriptor
OpenEye OEToolkits	2.0.7	2~{H}-indazole-6-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C8H7N3O/c9-8(12)5-1-2-6-4-10-11-7(6)3-5/h1-4H,(H2,9,12)(H,10,11)
InChIKey	InChI	1.06	FBGOHJNZYJSJKC-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	NC(=O)c1ccc2c[nH]nc2c1
SMILES	CACTVS	3.385	NC(=O)c1ccc2c[nH]nc2c1
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1cc2c[nH]nc2cc1C(=O)N
SMILES	OpenEye OEToolkits	2.0.7	c1cc2c[nH]nc2cc1C(=O)N

Chemical Database Mapping