N-[2-(3-hydroxyphenyl)ethyl]-1-methyltriazole-4-carboxamide

C12H14N4O2 — CID 110482144

IUPACN-[2-(3-hydroxyphenyl)ethyl]-1-methyltriazole-4-carboxamide
SMILESCn1cc(C(=O)NCCc2cccc(O)c2)nn1
InChIInChI=1S/C12H14N4O2/c1-16-8-11(14-15-16)12(18)13-6-5-9-3-2-4-10(17)7-9/h2-4,7-8,17H,5-6H2,1H3,(H,13,18)
InChIKeyFCWPWLCCNPREAE-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.49
Rot. Bonds4

About N-[2-(3-hydroxyphenyl)ethyl]-1-methyltriazole-4-carboxamide

N-[2-(3-hydroxyphenyl)ethyl]-1-methyltriazole-4-carboxamide (PubChem CID 110482144) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is N-[2-(3-hydroxyphenyl)ethyl]-1-methyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3-hydroxyphenyl)ethyl]-1-methyltriazole-4-carboxamide
PubChem CID110482144
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC NameN-[2-(3-hydroxyphenyl)ethyl]-1-methyltriazole-4-carboxamide
SMILESCn1cc(C(=O)NCCc2cccc(O)c2)nn1
InChIInChI=1S/C12H14N4O2/c1-16-8-11(14-15-16)12(18)13-6-5-9-3-2-4-10(17)7-9/h2-4,7-8,17H,5-6H2,1H3,(H,13,18)
InChIKeyFCWPWLCCNPREAE-UHFFFAOYSA-N
XLogP0.49
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3-hydroxyphenyl)ethyl]-6-methylpyridine-2-carboxamide
CID 110483053
1-methyl-N-[(3-methylphenyl)methyl]triazole-4-carboxamide
CID 110691577
N-[2-(3-hydroxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 110482292
N-(2-acetamidoethyl)-1-methyltriazole-4-carboxamide
CID 110691590
N-[(3-aminophenyl)methyl]-1-methyltriazole-4-carboxamide
CID 110482133
1-methyl-N-(2-thiophen-2-ylethyl)triazole-4-carboxamide
CID 45497207
1-methyl-N-[2-(2-methylsulfanylphenyl)ethyl]triazole-4-carboxamide
CID 110482116
1-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]triazole-4-carboxamide
CID 110461892
N-[2-(1H-indol-3-yl)ethyl]-1-methyltriazole-4-carboxamide
CID 45497188
3-hydroxy-N-[2-(3-methylphenyl)ethyl]benzamide
CID 62313945
methyl 4-[(1-methyltriazole-4-carbonyl)amino]butanoate
CID 110461887
1-(azetidin-3-yl)-N-[2-(3-fluorophenyl)ethyl]triazole-4-carboxamide
CID 79320078

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-hydroxyphenyl)ethyl]-1-methyltriazole-4-carboxamide?
The IUPAC name of N-[2-(3-hydroxyphenyl)ethyl]-1-methyltriazole-4-carboxamide (CID 110482144) is N-[2-(3-hydroxyphenyl)ethyl]-1-methyltriazole-4-carboxamide.
What is the SMILES notation for N-[2-(3-hydroxyphenyl)ethyl]-1-methyltriazole-4-carboxamide?
The canonical SMILES for N-[2-(3-hydroxyphenyl)ethyl]-1-methyltriazole-4-carboxamide is Cn1cc(C(=O)NCCc2cccc(O)c2)nn1.
What is the InChIKey of N-[2-(3-hydroxyphenyl)ethyl]-1-methyltriazole-4-carboxamide?
The InChIKey is FCWPWLCCNPREAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-16-8-11(14-15-16)12(18)13-6-5-9-3-2-4-10(17)7-9/h2-4,7-8,17H,5-6H2,1H3,(H,13,18).
What are the key properties of N-[2-(3-hydroxyphenyl)ethyl]-1-methyltriazole-4-carboxamide?
N-[2-(3-hydroxyphenyl)ethyl]-1-methyltriazole-4-carboxamide has a molecular weight of 246.27 g/mol, XLogP of 0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-hydroxyphenyl)ethyl]-1-methyltriazole-4-carboxamide is sourced from PubChem (CID 110482144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).