ISDA: 9VYM

Atom Indices

Bond Indices

Highlight Substructure

Structural Complex

Chemical ID: A1EUX

IUPAC Name: ~{N},1-dimethylindazol-5-amine

Formal Charge: 0

Type: non-polymer

Substructure

Substruture Type: MurckoScaffold

SMILES: c1ccc2[nH]ncc2c1

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: C9 H11 N3

Molecular weight: 161.204

Hydrogen Bond Acceptor: 3

Hydrogen Bond Donor: 1

Rotatable Bonds: 3

Heavy Atoms: 12

Systematic name

Program	Version	Descriptor
OpenEye OEToolkits	2.0.7	~{N},1-dimethylindazol-5-amine

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C9H11N3/c1-10-8-3-4-9-7(5-8)6-11-12(9)2/h3-6,10H,1-2H3
InChIKey	InChI	1.06	RXIZFSHZAUYHFD-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CNc1ccc2n(C)ncc2c1
SMILES	CACTVS	3.385	CNc1ccc2n(C)ncc2c1
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CNc1ccc2c(c1)cnn2C
SMILES	OpenEye OEToolkits	2.0.7	CNc1ccc2c(c1)cnn2C