ISDA: 21KV

Atom Indices

Bond Indices

Highlight Substructure

Structural Complex

Chemical ID: A1E2W

IUPAC Name: 4-(dimethylaminodiazenyl)-1H-imidazole-5-carboxamide

Formal Charge: 0

Type: non-polymer

Substructure

Substruture Type: MurckoScaffold

SMILES: c1c[nH]cn1

InChI: InChI=1S/C3H4N2/c1-2-5-3-4-1/h1-3H,(H,4,5)

InChI Key: RAXXELZNTBOGNW-UHFFFAOYSA-N

Physiochemical Descriptor:

Formula: C6 H10 N6 O

Molecular weight: 182.183

Hydrogen Bond Acceptor: 4

Hydrogen Bond Donor: 2

Rotatable Bonds: 5

Heavy Atoms: 13

Systematic name

Program	Version	Descriptor
OpenEye OEToolkits	2.0.7	4-(dimethylaminodiazenyl)-1~{H}-imidazole-5-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C6H10N6O/c1-12(2)11-10-6-4(5(7)13)8-3-9-6/h3H,1-2H3,(H2,7,13)(H,8,9)
InChIKey	InChI	1.06	FDKXTQMXEQVLRF-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CN(C)N=Nc1nc[nH]c1C(N)=O
SMILES	CACTVS	3.385	CN(C)N=Nc1nc[nH]c1C(N)=O
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CN(C)N=Nc1c([nH]cn1)C(=O)N
SMILES	OpenEye OEToolkits	2.0.7	CN(C)N=Nc1c([nH]cn1)C(=O)N

Chemical Database Mapping