ISDA: 9QRE

Atom Indices

Bond Indices

Highlight Substructure

Structural Complex

Chemical ID: A1I9K

IUPAC Name: 2,5-dimethylpyrazol-3-amine

Formal Charge: 0

Type: non-polymer

Substructure

Substruture Type: MurckoScaffold

SMILES: c1cn[nH]c1

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

InChI Key: WTKZEGDFNFYCGP-UHFFFAOYSA-N

Physiochemical Descriptor:

Formula: C5 H9 N3

Molecular weight: 111.145

Hydrogen Bond Acceptor: 3

Hydrogen Bond Donor: 1

Rotatable Bonds: 3

Heavy Atoms: 8

Systematic name

Program	Version	Descriptor
OpenEye OEToolkits	2.0.7	2,5-dimethylpyrazol-3-amine

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C5H9N3/c1-4-3-5(6)8(2)7-4/h3H,6H2,1-2H3
InChIKey	InChI	1.06	ZFDGMMZLXSFNFU-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Cn1nc(C)cc1N
SMILES	CACTVS	3.385	Cn1nc(C)cc1N
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cc1cc(n(n1)C)N
SMILES	OpenEye OEToolkits	2.0.7	Cc1cc(n(n1)C)N

Chemical Database Mapping