2-(4-ethylphenyl)-5-(hydroxymethyl)-N-(2-methylpropyl)triazole-4-carboxamide

C16H22N4O2 — CID 23608131

IUPAC2-(4-ethylphenyl)-5-(hydroxymethyl)-N-(2-methylpropyl)triazole-4-carboxamide
SMILESCCc1ccc(-n2nc(CO)c(C(=O)NCC(C)C)n2)cc1
InChIInChI=1S/C16H22N4O2/c1-4-12-5-7-13(8-6-12)20-18-14(10-21)15(19-20)16(22)17-9-11(2)3/h5-8,11,21H,4,9-10H2,1-3H3,(H,17,22)
InChIKeyKPXIASBLPHFJDW-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.71
Rot. Bonds6

About 2-(4-ethylphenyl)-5-(hydroxymethyl)-N-(2-methylpropyl)triazole-4-carboxamide

2-(4-ethylphenyl)-5-(hydroxymethyl)-N-(2-methylpropyl)triazole-4-carboxamide (PubChem CID 23608131) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-5-(hydroxymethyl)-N-(2-methylpropyl)triazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-ethylphenyl)-5-(hydroxymethyl)-N-(2-methylpropyl)triazole-4-carboxamide
PubChem CID23608131
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name2-(4-ethylphenyl)-5-(hydroxymethyl)-N-(2-methylpropyl)triazole-4-carboxamide
SMILESCCc1ccc(-n2nc(CO)c(C(=O)NCC(C)C)n2)cc1
InChIInChI=1S/C16H22N4O2/c1-4-12-5-7-13(8-6-12)20-18-14(10-21)15(19-20)16(22)17-9-11(2)3/h5-8,11,21H,4,9-10H2,1-3H3,(H,17,22)
InChIKeyKPXIASBLPHFJDW-UHFFFAOYSA-N
XLogP1.71
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-ethoxypropyl)-2-(4-ethylphenyl)-5-(hydroxymethyl)triazole-4-carboxamide
CID 23608156
2-(4-chlorophenyl)-N-ethyl-5-(hydroxymethyl)triazole-4-carboxamide
CID 46262752
2-(4-ethylphenyl)-5-(hydroxymethyl)-N-[2-(1H-indol-3-yl)ethyl]triazole-4-carboxamide
CID 23608154
2-(4-chlorophenyl)-N-(2-hydroxyethyl)-5-(hydroxymethyl)triazole-4-carboxamide
CID 23608027
N-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-2-phenyltriazole-4-carboxamide
CID 23607974
2-(4-chlorophenyl)-5-(hydroxymethyl)-N-(3-methoxypropyl)triazole-4-carboxamide
CID 23608045
2-(3,4-dimethylphenyl)-N-(2-hydroxyethyl)-5-(hydroxymethyl)triazole-4-carboxamide
CID 23608090
2-(4-chlorophenyl)-5-(hydroxymethyl)-N-[(1S)-1-phenylethyl]triazole-4-carboxamide
CID 92717279
4-(4-ethylphenyl)-N-(2-methylpropyl)piperazine-1-carboxamide
CID 113104075
2-(4-ethylanilino)-N-(2-methylpropyl)pyrimidine-5-carboxamide
CID 109248532
5-ethyl-1-(4-fluorophenyl)-N-(2-methylpropyl)-3-propan-2-ylpyrazole-4-carboxamide
CID 42820286
4-ethyl-N-(2-methylpropyl)-1H-pyrrole-2-carboxamide
CID 142183525

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-5-(hydroxymethyl)-N-(2-methylpropyl)triazole-4-carboxamide?
The IUPAC name of 2-(4-ethylphenyl)-5-(hydroxymethyl)-N-(2-methylpropyl)triazole-4-carboxamide (CID 23608131) is 2-(4-ethylphenyl)-5-(hydroxymethyl)-N-(2-methylpropyl)triazole-4-carboxamide.
What is the SMILES notation for 2-(4-ethylphenyl)-5-(hydroxymethyl)-N-(2-methylpropyl)triazole-4-carboxamide?
The canonical SMILES for 2-(4-ethylphenyl)-5-(hydroxymethyl)-N-(2-methylpropyl)triazole-4-carboxamide is CCc1ccc(-n2nc(CO)c(C(=O)NCC(C)C)n2)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-5-(hydroxymethyl)-N-(2-methylpropyl)triazole-4-carboxamide?
The InChIKey is KPXIASBLPHFJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-4-12-5-7-13(8-6-12)20-18-14(10-21)15(19-20)16(22)17-9-11(2)3/h5-8,11,21H,4,9-10H2,1-3H3,(H,17,22).
What are the key properties of 2-(4-ethylphenyl)-5-(hydroxymethyl)-N-(2-methylpropyl)triazole-4-carboxamide?
2-(4-ethylphenyl)-5-(hydroxymethyl)-N-(2-methylpropyl)triazole-4-carboxamide has a molecular weight of 302.38 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-5-(hydroxymethyl)-N-(2-methylpropyl)triazole-4-carboxamide is sourced from PubChem (CID 23608131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).