1-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]triazole-4-carbohydrazide

C11H12ClN5O2 — CID 96563684

IUPAC1-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]triazole-4-carbohydrazide
SMILESNNC(=O)c1cn(C[C@@H](O)c2cccc(Cl)c2)nn1
InChIInChI=1S/C11H12ClN5O2/c12-8-3-1-2-7(4-8)10(18)6-17-5-9(15-16-17)11(19)14-13/h1-5,10,18H,6,13H2,(H,14,19)/t10-/m1/s1
InChIKeyXUUMOKYCPFBBIP-SNVBAGLBSA-N
MW281.70 g/mol
LogP0.27
Rot. Bonds4

About 1-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]triazole-4-carbohydrazide

1-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]triazole-4-carbohydrazide (PubChem CID 96563684) has the molecular formula C11H12ClN5O2 and a molecular weight of 281.70 g/mol. Its IUPAC name is 1-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]triazole-4-carbohydrazide.

Molecular Properties

Compound Name1-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]triazole-4-carbohydrazide
PubChem CID96563684
Molecular FormulaC11H12ClN5O2
Molecular Weight281.70 g/mol
Exact Mass281.07
IUPAC Name1-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]triazole-4-carbohydrazide
SMILESNNC(=O)c1cn(C[C@@H](O)c2cccc(Cl)c2)nn1
InChIInChI=1S/C11H12ClN5O2/c12-8-3-1-2-7(4-8)10(18)6-17-5-9(15-16-17)11(19)14-13/h1-5,10,18H,6,13H2,(H,14,19)/t10-/m1/s1
InChIKeyXUUMOKYCPFBBIP-SNVBAGLBSA-N
XLogP0.27
TPSA106.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.70
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]triazole-4-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2R)-2-(4-ethoxyphenyl)-2-hydroxyethyl]triazole-4-carbohydrazide
CID 97032406
methyl 1-[2-hydroxy-2-(3-methylphenyl)ethyl]triazole-4-carboxylate
CID 56771380
1-[2-(2-amino-5-chlorophenyl)sulfanylethyl]triazole-4-carbohydrazide
CID 79528117
2,2,2-trifluoro-1-[1-(2-hydroxy-2-phenylethyl)triazol-4-yl]ethanone
CID 62581782
1-[2-[1-(3-chlorophenyl)ethylamino]-2-oxoethyl]triazole-4-carboxylic acid
CID 66289951
3-(3-chlorophenyl)-3-hydroxypropanoate
CID 19770450
2-amino-1-(3-chlorophenyl)ethanol;carbonic acid
CID 67865938
1-[(2R)-2-(1,3-benzodioxol-5-yl)-2-hydroxyethyl]-N-(3-fluoro-2-methylphenyl)triazole-4-carboxamide
CID 95104650
(1R)-1-(3-chlorophenyl)-2-(4-nitropyrazol-1-yl)ethanol
CID 97327173
1-[2-(1,3-benzodioxol-5-yl)-2-hydroxyethyl]-N-(4-methylphenyl)triazole-4-carboxamide
CID 53180147
methyl (3R)-3-(3-chlorophenyl)-3-hydroxypropanoate
CID 15081586
1-[2-(3-chlorophenyl)-2-hydroxyethyl]-3,4-dimethylpyrrolidine-2,5-dione
CID 111969239

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]triazole-4-carbohydrazide?
The IUPAC name of 1-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]triazole-4-carbohydrazide (CID 96563684) is 1-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]triazole-4-carbohydrazide.
What is the SMILES notation for 1-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]triazole-4-carbohydrazide?
The canonical SMILES for 1-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]triazole-4-carbohydrazide is NNC(=O)c1cn(C[C@@H](O)c2cccc(Cl)c2)nn1.
What is the InChIKey of 1-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]triazole-4-carbohydrazide?
The InChIKey is XUUMOKYCPFBBIP-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H12ClN5O2/c12-8-3-1-2-7(4-8)10(18)6-17-5-9(15-16-17)11(19)14-13/h1-5,10,18H,6,13H2,(H,14,19)/t10-/m1/s1.
What are the key properties of 1-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]triazole-4-carbohydrazide?
1-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]triazole-4-carbohydrazide has a molecular weight of 281.70 g/mol, XLogP of 0.27, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]triazole-4-carbohydrazide is sourced from PubChem (CID 96563684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).