N-(2-ethoxy-6-methylphenyl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide

C20H22N4O2 — CID 127046485

IUPACN-(2-ethoxy-6-methylphenyl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide
SMILESCCOc1cccc(C)c1NC(=O)c1nnn(-c2ccc(C)cc2)c1C
InChIInChI=1S/C20H22N4O2/c1-5-26-17-8-6-7-14(3)18(17)21-20(25)19-15(4)24(23-22-19)16-11-9-13(2)10-12-16/h6-12H,5H2,1-4H3,(H,21,25)
InChIKeyYMVYDGUDPVDUGG-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.84
Rot. Bonds5

About N-(2-ethoxy-6-methylphenyl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide

N-(2-ethoxy-6-methylphenyl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide (PubChem CID 127046485) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-(2-ethoxy-6-methylphenyl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxy-6-methylphenyl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide
PubChem CID127046485
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC NameN-(2-ethoxy-6-methylphenyl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide
SMILESCCOc1cccc(C)c1NC(=O)c1nnn(-c2ccc(C)cc2)c1C
InChIInChI=1S/C20H22N4O2/c1-5-26-17-8-6-7-14(3)18(17)21-20(25)19-15(4)24(23-22-19)16-11-9-13(2)10-12-16/h6-12H,5H2,1-4H3,(H,21,25)
InChIKeyYMVYDGUDPVDUGG-UHFFFAOYSA-N
XLogP3.84
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxy-6-methylphenyl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide?
The IUPAC name of N-(2-ethoxy-6-methylphenyl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide (CID 127046485) is N-(2-ethoxy-6-methylphenyl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide.
What is the SMILES notation for N-(2-ethoxy-6-methylphenyl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide?
The canonical SMILES for N-(2-ethoxy-6-methylphenyl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide is CCOc1cccc(C)c1NC(=O)c1nnn(-c2ccc(C)cc2)c1C.
What is the InChIKey of N-(2-ethoxy-6-methylphenyl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide?
The InChIKey is YMVYDGUDPVDUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-5-26-17-8-6-7-14(3)18(17)21-20(25)19-15(4)24(23-22-19)16-11-9-13(2)10-12-16/h6-12H,5H2,1-4H3,(H,21,25).
What are the key properties of N-(2-ethoxy-6-methylphenyl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide?
N-(2-ethoxy-6-methylphenyl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxy-6-methylphenyl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide is sourced from PubChem (CID 127046485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).