1-(4-propan-2-ylphenyl)triazole-4-carbohydrazide

C12H15N5O — CID 112708395

IUPAC1-(4-propan-2-ylphenyl)triazole-4-carbohydrazide
SMILESCC(C)c1ccc(-n2cc(C(=O)NN)nn2)cc1
InChIInChI=1S/C12H15N5O/c1-8(2)9-3-5-10(6-4-9)17-7-11(15-16-17)12(18)14-13/h3-8H,13H2,1-2H3,(H,14,18)
InChIKeyTVZAOMQAQOSOSO-UHFFFAOYSA-N
MW245.29 g/mol
LogP0.99
Rot. Bonds3

About 1-(4-propan-2-ylphenyl)triazole-4-carbohydrazide

1-(4-propan-2-ylphenyl)triazole-4-carbohydrazide (PubChem CID 112708395) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 1-(4-propan-2-ylphenyl)triazole-4-carbohydrazide.

Molecular Properties

Compound Name1-(4-propan-2-ylphenyl)triazole-4-carbohydrazide
PubChem CID112708395
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name1-(4-propan-2-ylphenyl)triazole-4-carbohydrazide
SMILESCC(C)c1ccc(-n2cc(C(=O)NN)nn2)cc1
InChIInChI=1S/C12H15N5O/c1-8(2)9-3-5-10(6-4-9)17-7-11(15-16-17)12(18)14-13/h3-8H,13H2,1-2H3,(H,14,18)
InChIKeyTVZAOMQAQOSOSO-UHFFFAOYSA-N
XLogP0.99
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 50.99
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'}

Analyze 1-(4-propan-2-ylphenyl)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-(4-ethylphenyl)-N-[(4-propan-2-ylphenyl)methyl]triazole-4-carboxamide
CID 53332727
1-(4-propan-2-ylphenyl)-N-(pyridin-2-ylmethyl)triazole-4-carboxamide
CID 17015530
1-(3-ethylphenyl)triazole-4-carbohydrazide
CID 112708382
1-(4-fluorophenyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]triazole-4-carboxamide
CID 110922720
3-[(1-phenyltriazole-4-carbonyl)amino]butanoic acid
CID 43360787
1-[4-[(1S)-1-(naphthalene-1-carbonylamino)ethyl]phenyl]triazole-4-carboxamide
CID 94063227
methyl 1-(4-aminophenyl)triazole-4-carboxylate
CID 28819360
4-methyl-2-[[1-(4-methylphenyl)triazole-4-carbonyl]amino]pentanoic acid
CID 119188574
4-methyl-2-[(1-phenyltriazole-4-carbonyl)amino]pentanoic acid
CID 119188578
1-(4-ethylphenyl)-N-[(4-ethylphenyl)methyl]triazole-4-carboxamide
CID 53332726
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-1-(4-ethylphenyl)triazole-4-carboxamide
CID 95183306
1-[4-[(1R)-1-(3-propan-2-yloxypropanoylamino)ethyl]phenyl]triazole-4-carboxamide
CID 94802267

Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-ylphenyl)triazole-4-carbohydrazide?
The IUPAC name of 1-(4-propan-2-ylphenyl)triazole-4-carbohydrazide (CID 112708395) is 1-(4-propan-2-ylphenyl)triazole-4-carbohydrazide.
What is the SMILES notation for 1-(4-propan-2-ylphenyl)triazole-4-carbohydrazide?
The canonical SMILES for 1-(4-propan-2-ylphenyl)triazole-4-carbohydrazide is CC(C)c1ccc(-n2cc(C(=O)NN)nn2)cc1.
What is the InChIKey of 1-(4-propan-2-ylphenyl)triazole-4-carbohydrazide?
The InChIKey is TVZAOMQAQOSOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-8(2)9-3-5-10(6-4-9)17-7-11(15-16-17)12(18)14-13/h3-8H,13H2,1-2H3,(H,14,18).
What are the key properties of 1-(4-propan-2-ylphenyl)triazole-4-carbohydrazide?
1-(4-propan-2-ylphenyl)triazole-4-carbohydrazide has a molecular weight of 245.29 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-ylphenyl)triazole-4-carbohydrazide is sourced from PubChem (CID 112708395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).