ISDA: 6H0W

Atom Indices

Bond Indices

Highlight Substructure

Structural Complex

Chemical ID: FHW

IUPAC Name: (2~{R})-3-phenyl-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: C10 H12 N6 O

Molecular weight: 232.242

Hydrogen Bond Acceptor: 5

Hydrogen Bond Donor: 3

Rotatable Bonds: 5

Heavy Atoms: 17

Systematic name

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

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.03	InChI=1S/C10H12N6O/c11-12-10(17)8(9-13-15-16-14-9)6-7-4-2-1-3-5-7/h1-5,8H,6,11H2,(H,12,17)(H,13,14,15,16)/t8-/m1/s1
InChIKey	InChI	1.03	SGFUQCKYWZCXFN-MRVPVSSYSA-N
SMILES_CANONICAL	CACTVS	3.385	NNC(=O)[C@H](Cc1ccccc1)c2n[nH]nn2
SMILES	CACTVS	3.385	NNC(=O)[CH](Cc1ccccc1)c2n[nH]nn2
SMILES_CANONICAL	OpenEye OEToolkits	2.0.6	c1ccc(cc1)C[C@H](c2n[nH]nn2)C(=O)NN
SMILES	OpenEye OEToolkits	2.0.6	c1ccc(cc1)CC(c2n[nH]nn2)C(=O)NN

Chemical Database Mapping

Database	Reference ID
PubChem	145864177