ISDA: 9M96

Atom Indices

Bond Indices

Highlight Substructure

Structural Complex

Chemical ID: A1ENA

IUPAC Name: 6-morpholin-4-ylpyridazin-3-amine

Formal Charge: 0

Type: non-polymer

Substructure

Substruture Type: MurckoScaffold

SMILES: c1cnnc(N2CCOCC2)c1

InChI: InChI=1S/C8H11N3O/c1-2-8(10-9-3-1)11-4-6-12-7-5-11/h1-3H,4-7H2

InChI Key: WLDKNDQFNZDHEA-UHFFFAOYSA-N

Physiochemical Descriptor:

Formula: C8 H12 N4 O

Molecular weight: 180.207

Hydrogen Bond Acceptor: 5

Hydrogen Bond Donor: 1

Rotatable Bonds: 2

Heavy Atoms: 13

Systematic name

Program	Version	Descriptor
OpenEye OEToolkits	2.0.7	6-morpholin-4-ylpyridazin-3-amine

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C8H12N4O/c9-7-1-2-8(11-10-7)12-3-5-13-6-4-12/h1-2H,3-6H2,(H2,9,10)
InChIKey	InChI	1.06	IEUHTZVAUDMKQJ-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Nc1ccc(nn1)N2CCOCC2
SMILES	CACTVS	3.385	Nc1ccc(nn1)N2CCOCC2
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1cc(nnc1N)N2CCOCC2
SMILES	OpenEye OEToolkits	2.0.7	c1cc(nnc1N)N2CCOCC2

Chemical Database Mapping