N-ethyl-5-(5-ethyl-2-hydroxyphenyl)-4-(4-methylphenyl)-1,2,4-triazole-3-carboxamide

C20H22N4O2 — CID 176679832

IUPACN-ethyl-5-(5-ethyl-2-hydroxyphenyl)-4-(4-methylphenyl)-1,2,4-triazole-3-carboxamide
SMILESCCNC(=O)c1nnc(-c2cc(CC)ccc2O)n1-c1ccc(C)cc1
InChIInChI=1S/C20H22N4O2/c1-4-14-8-11-17(25)16(12-14)18-22-23-19(20(26)21-5-2)24(18)15-9-6-13(3)7-10-15/h6-12,25H,4-5H2,1-3H3,(H,21,26)
InChIKeyZLJIHZZUFAFXOU-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.26
Rot. Bonds5

About N-ethyl-5-(5-ethyl-2-hydroxyphenyl)-4-(4-methylphenyl)-1,2,4-triazole-3-carboxamide

N-ethyl-5-(5-ethyl-2-hydroxyphenyl)-4-(4-methylphenyl)-1,2,4-triazole-3-carboxamide (PubChem CID 176679832) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-ethyl-5-(5-ethyl-2-hydroxyphenyl)-4-(4-methylphenyl)-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-(5-ethyl-2-hydroxyphenyl)-4-(4-methylphenyl)-1,2,4-triazole-3-carboxamide
PubChem CID176679832
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC NameN-ethyl-5-(5-ethyl-2-hydroxyphenyl)-4-(4-methylphenyl)-1,2,4-triazole-3-carboxamide
SMILESCCNC(=O)c1nnc(-c2cc(CC)ccc2O)n1-c1ccc(C)cc1
InChIInChI=1S/C20H22N4O2/c1-4-14-8-11-17(25)16(12-14)18-22-23-19(20(26)21-5-2)24(18)15-9-6-13(3)7-10-15/h6-12,25H,4-5H2,1-3H3,(H,21,26)
InChIKeyZLJIHZZUFAFXOU-UHFFFAOYSA-N
XLogP3.26
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;N-ethyl-5-(5-ethyl-2-hydroxybenzene-4-id-1-yl)-4-(4-methylphenyl)-1,2,4-triazole-3-carboxamide;uranium
CID 176679831
ethane;5-(5-ethyl-2,4-dihydroxyphenyl)-4-(4-methylphenyl)-N-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazole-3-carboxamide
CID 176552304
5-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)-1,2,4-triazole-3-carboxamide;ethane
CID 176552418
5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-4-[4-[[4-[(3-methylphenyl)methyl]piperazin-1-yl]methyl]phenyl]-1,2,4-triazole-3-carboxamide
CID 162740651
4-[4-[[4-(2-chloroethyl)piperazin-1-yl]methyl]phenyl]-5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-1,2,4-triazole-3-carboxamide
CID 162740500
5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-4-[4-(piperazin-1-ylmethyl)phenyl]-1,2,4-triazole-3-carboxamide;ethane
CID 142606046
N-ethyl-5-(2-hydroxy-4-methoxy-5-propan-2-ylphenyl)-4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,2,4-triazole-3-carboxamide
CID 135924280
4-[[4-[3-[5-[butyl(methyl)carbamoyl]-2,4-dihydroxyphenyl]-5-(ethylcarbamoyl)-1,2,4-triazol-4-yl]phenyl]methyl]piperidine-1-carboxylic acid
CID 137003859
1-[[4-[3-(ethylcarbamoyl)-5-[2-hydroxy-4-(3-methylbutoxy)-5-propan-2-ylphenyl]-1,2,4-triazol-4-yl]phenyl]methyl]piperidine-4-carboxylic acid
CID 137125571
4-[4-[[4-[(3,6-dihydroxy-2-methyloxan-4-yl)carbamoyl]phenyl]methyl]phenyl]-5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-1,2,4-triazole-3-carboxamide
CID 137053083
3-[[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-(ethylcarbamoyl)-1,2,4-triazol-4-yl]benzoyl]-methylamino]propyl formate
CID 144807686
4-[4-[[4-[(1-acetylpiperidin-4-yl)methyl]piperazin-1-yl]methyl]phenyl]-5-(5-ethyl-2,4-dihydroxyphenyl)-N-(2,2,2-trifluoroethyl)-1,2,4-triazole-3-carboxamide
CID 155200785

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(5-ethyl-2-hydroxyphenyl)-4-(4-methylphenyl)-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-ethyl-5-(5-ethyl-2-hydroxyphenyl)-4-(4-methylphenyl)-1,2,4-triazole-3-carboxamide (CID 176679832) is N-ethyl-5-(5-ethyl-2-hydroxyphenyl)-4-(4-methylphenyl)-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-ethyl-5-(5-ethyl-2-hydroxyphenyl)-4-(4-methylphenyl)-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-ethyl-5-(5-ethyl-2-hydroxyphenyl)-4-(4-methylphenyl)-1,2,4-triazole-3-carboxamide is CCNC(=O)c1nnc(-c2cc(CC)ccc2O)n1-c1ccc(C)cc1.
What is the InChIKey of N-ethyl-5-(5-ethyl-2-hydroxyphenyl)-4-(4-methylphenyl)-1,2,4-triazole-3-carboxamide?
The InChIKey is ZLJIHZZUFAFXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-4-14-8-11-17(25)16(12-14)18-22-23-19(20(26)21-5-2)24(18)15-9-6-13(3)7-10-15/h6-12,25H,4-5H2,1-3H3,(H,21,26).
What are the key properties of N-ethyl-5-(5-ethyl-2-hydroxyphenyl)-4-(4-methylphenyl)-1,2,4-triazole-3-carboxamide?
N-ethyl-5-(5-ethyl-2-hydroxyphenyl)-4-(4-methylphenyl)-1,2,4-triazole-3-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(5-ethyl-2-hydroxyphenyl)-4-(4-methylphenyl)-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 176679832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).