2-(3,4-dimethylphenyl)-N-(2-hydroxyethyl)-5-(hydroxymethyl)triazole-4-carboxamide

C14H18N4O3 — CID 23608090

IUPAC2-(3,4-dimethylphenyl)-N-(2-hydroxyethyl)-5-(hydroxymethyl)triazole-4-carboxamide
SMILESCc1ccc(-n2nc(CO)c(C(=O)NCCO)n2)cc1C
InChIInChI=1S/C14H18N4O3/c1-9-3-4-11(7-10(9)2)18-16-12(8-20)13(17-18)14(21)15-5-6-19/h3-4,7,19-20H,5-6,8H2,1-2H3,(H,15,21)
InChIKeyJYNDMTMQAFAYDX-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.10
Rot. Bonds5

About 2-(3,4-dimethylphenyl)-N-(2-hydroxyethyl)-5-(hydroxymethyl)triazole-4-carboxamide

2-(3,4-dimethylphenyl)-N-(2-hydroxyethyl)-5-(hydroxymethyl)triazole-4-carboxamide (PubChem CID 23608090) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-N-(2-hydroxyethyl)-5-(hydroxymethyl)triazole-4-carboxamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-N-(2-hydroxyethyl)-5-(hydroxymethyl)triazole-4-carboxamide
PubChem CID23608090
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name2-(3,4-dimethylphenyl)-N-(2-hydroxyethyl)-5-(hydroxymethyl)triazole-4-carboxamide
SMILESCc1ccc(-n2nc(CO)c(C(=O)NCCO)n2)cc1C
InChIInChI=1S/C14H18N4O3/c1-9-3-4-11(7-10(9)2)18-16-12(8-20)13(17-18)14(21)15-5-6-19/h3-4,7,19-20H,5-6,8H2,1-2H3,(H,15,21)
InChIKeyJYNDMTMQAFAYDX-UHFFFAOYSA-N
XLogP0.10
TPSA100.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-chlorophenyl)-N-(2-hydroxyethyl)-5-(hydroxymethyl)triazole-4-carboxamide
CID 23608027
2-(4-chlorophenyl)-5-(hydroxymethyl)-N-(3-methoxypropyl)triazole-4-carboxamide
CID 23608045
2-(4-chlorophenyl)-N-ethyl-5-(hydroxymethyl)triazole-4-carboxamide
CID 46262752
N-(3-ethoxypropyl)-2-(4-ethylphenyl)-5-(hydroxymethyl)triazole-4-carboxamide
CID 23608156
5-(hydroxymethyl)-N-[(2-methoxyphenyl)methyl]-2-phenyltriazole-4-carboxamide
CID 23607973
2-(4-ethylphenyl)-5-(hydroxymethyl)-N-[2-(1H-indol-3-yl)ethyl]triazole-4-carboxamide
CID 23608154
N-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-2-phenyltriazole-4-carboxamide
CID 23607974
5-chloro-N-(2-hydroxyethyl)-2-methylbenzamide
CID 115532800
2-(4-chlorophenyl)-5-(hydroxymethyl)-N-[(1S)-1-phenylethyl]triazole-4-carboxamide
CID 92717279
5-(3,4-dimethylphenyl)-N-(2-hydroxyethyl)furan-2-carboxamide
CID 82121160
2-(3-chlorophenyl)-N-(2-ethoxyethyl)-5-methyltriazole-4-carboxamide
CID 78903143
N-(2-aminoethyl)-5-(3,4-dimethylphenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 84614119

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-N-(2-hydroxyethyl)-5-(hydroxymethyl)triazole-4-carboxamide?
The IUPAC name of 2-(3,4-dimethylphenyl)-N-(2-hydroxyethyl)-5-(hydroxymethyl)triazole-4-carboxamide (CID 23608090) is 2-(3,4-dimethylphenyl)-N-(2-hydroxyethyl)-5-(hydroxymethyl)triazole-4-carboxamide.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-N-(2-hydroxyethyl)-5-(hydroxymethyl)triazole-4-carboxamide?
The canonical SMILES for 2-(3,4-dimethylphenyl)-N-(2-hydroxyethyl)-5-(hydroxymethyl)triazole-4-carboxamide is Cc1ccc(-n2nc(CO)c(C(=O)NCCO)n2)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenyl)-N-(2-hydroxyethyl)-5-(hydroxymethyl)triazole-4-carboxamide?
The InChIKey is JYNDMTMQAFAYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-9-3-4-11(7-10(9)2)18-16-12(8-20)13(17-18)14(21)15-5-6-19/h3-4,7,19-20H,5-6,8H2,1-2H3,(H,15,21).
What are the key properties of 2-(3,4-dimethylphenyl)-N-(2-hydroxyethyl)-5-(hydroxymethyl)triazole-4-carboxamide?
2-(3,4-dimethylphenyl)-N-(2-hydroxyethyl)-5-(hydroxymethyl)triazole-4-carboxamide has a molecular weight of 290.32 g/mol, XLogP of 0.10, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-N-(2-hydroxyethyl)-5-(hydroxymethyl)triazole-4-carboxamide is sourced from PubChem (CID 23608090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).