ISDA: 6H0Y

Atom Indices

Bond Indices

Highlight Substructure

Structural Complex

Chemical ID: FHZ

IUPAC Name: (2~{R})-3-(4-methoxyphenyl)-2-(2~{H}-1,2,3,4-tetrazol-5-yl)propanehydrazide

Formal Charge: 0

Type: NON-POLYMER

Substructure

Substruture Type: MurckoScaffold

SMILES: c1ccc(CCc2nn[nH]n2)cc1

InChI: InChI=1S/C9H10N4/c1-2-4-8(5-3-1)6-7-9-10-12-13-11-9/h1-5H,6-7H2,(H,10,11,12,13)

InChI Key: AFVBZUWBUBBTKS-UHFFFAOYSA-N

Physiochemical Descriptor:

Formula: C11 H14 N6 O2

Molecular weight: 262.268

Hydrogen Bond Acceptor: 6

Hydrogen Bond Donor: 3

Rotatable Bonds: 7

Heavy Atoms: 19

Systematic name

Program	Version	Descriptor
OpenEye OEToolkits	2.0.6	(2~{R})-3-(4-methoxyphenyl)-2-(2~{H}-1,2,3,4-tetrazol-5-yl)propanehydrazide

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.03	InChI=1S/C11H14N6O2/c1-19-8-4-2-7(3-5-8)6-9(11(18)13-12)10-14-16-17-15-10/h2-5,9H,6,12H2,1H3,(H,13,18)(H,14,15,16,17)/t9-/m1/s1
InChIKey	InChI	1.03	OKIHHJXQEJHBAW-SECBINFHSA-N
SMILES_CANONICAL	CACTVS	3.385	COc1ccc(C[C@@H](C(=O)NN)c2n[nH]nn2)cc1
SMILES	CACTVS	3.385	COc1ccc(C[CH](C(=O)NN)c2n[nH]nn2)cc1
SMILES_CANONICAL	OpenEye OEToolkits	2.0.6	COc1ccc(cc1)C[C@H](c2n[nH]nn2)C(=O)NN
SMILES	OpenEye OEToolkits	2.0.6	COc1ccc(cc1)CC(c2n[nH]nn2)C(=O)NN

Chemical Database Mapping

Database	Reference ID
PubChem	145864180