1-(3-ethylphenyl)triazole-4-carbohydrazide

C11H13N5O — CID 112708382

IUPAC1-(3-ethylphenyl)triazole-4-carbohydrazide
SMILESCCc1cccc(-n2cc(C(=O)NN)nn2)c1
InChIInChI=1S/C11H13N5O/c1-2-8-4-3-5-9(6-8)16-7-10(14-15-16)11(17)13-12/h3-7H,2,12H2,1H3,(H,13,17)
InChIKeyNLWKFJVGKMAQMS-UHFFFAOYSA-N
MW231.26 g/mol
LogP0.43
Rot. Bonds3

About 1-(3-ethylphenyl)triazole-4-carbohydrazide

1-(3-ethylphenyl)triazole-4-carbohydrazide (PubChem CID 112708382) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is 1-(3-ethylphenyl)triazole-4-carbohydrazide.

Molecular Properties

Compound Name1-(3-ethylphenyl)triazole-4-carbohydrazide
PubChem CID112708382
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC Name1-(3-ethylphenyl)triazole-4-carbohydrazide
SMILESCCc1cccc(-n2cc(C(=O)NN)nn2)c1
InChIInChI=1S/C11H13N5O/c1-2-8-4-3-5-9(6-8)16-7-10(14-15-16)11(17)13-12/h3-7H,2,12H2,1H3,(H,13,17)
InChIKeyNLWKFJVGKMAQMS-UHFFFAOYSA-N
XLogP0.43
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}

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Related Compounds

2-amino-N-[[1-(3-ethylphenyl)triazol-4-yl]methyl]acetamide
CID 114777919
1-(4-ethylphenyl)-N-[(3-methylphenyl)methyl]triazole-4-carboxamide
CID 53332768
1-(4-propan-2-ylphenyl)triazole-4-carbohydrazide
CID 112708395
1-(4-ethylphenyl)-N-[(4-ethylphenyl)methyl]triazole-4-carboxamide
CID 53332726
1-[1-(3-ethylphenyl)triazol-4-yl]propan-1-ol
CID 113482605
N-[(2R)-butan-2-yl]-1-(3-fluorophenyl)triazole-4-carboxamide
CID 95086934
N-(2-amino-2-methylpropyl)-1-phenyltriazole-4-carboxamide;hydrochloride
CID 119627298
N-[2-(ethylamino)ethyl]-1-(3-methylphenyl)triazole-4-carboxamide;hydrochloride
CID 119506900
N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-1-phenyltriazole-4-carboxamide
CID 136579455
1-(4-ethylphenyl)triazole-4-carbonyl chloride
CID 91895179
lithium;ethyl 1-(3-methoxyphenyl)triazole-4-carboxylate;1-(3-methoxyphenyl)triazole-4-carboxylic acid;hydroxide
CID 159859815
1-(4-ethylphenyl)-N-[(4-fluorophenyl)methyl]triazole-4-carboxamide
CID 53332740

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylphenyl)triazole-4-carbohydrazide?
The IUPAC name of 1-(3-ethylphenyl)triazole-4-carbohydrazide (CID 112708382) is 1-(3-ethylphenyl)triazole-4-carbohydrazide.
What is the SMILES notation for 1-(3-ethylphenyl)triazole-4-carbohydrazide?
The canonical SMILES for 1-(3-ethylphenyl)triazole-4-carbohydrazide is CCc1cccc(-n2cc(C(=O)NN)nn2)c1.
What is the InChIKey of 1-(3-ethylphenyl)triazole-4-carbohydrazide?
The InChIKey is NLWKFJVGKMAQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c1-2-8-4-3-5-9(6-8)16-7-10(14-15-16)11(17)13-12/h3-7H,2,12H2,1H3,(H,13,17).
What are the key properties of 1-(3-ethylphenyl)triazole-4-carbohydrazide?
1-(3-ethylphenyl)triazole-4-carbohydrazide has a molecular weight of 231.26 g/mol, XLogP of 0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylphenyl)triazole-4-carbohydrazide is sourced from PubChem (CID 112708382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).