N-(4-methoxyphenyl)-5-methyl-1-(3-methylphenyl)triazole-4-carboxamide

C18H18N4O2 — CID 2141179

IUPACN-(4-methoxyphenyl)-5-methyl-1-(3-methylphenyl)triazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2nnn(-c3cccc(C)c3)c2C)cc1
InChIInChI=1S/C18H18N4O2/c1-12-5-4-6-15(11-12)22-13(2)17(20-21-22)18(23)19-14-7-9-16(24-3)10-8-14/h4-11H,1-3H3,(H,19,23)
InChIKeyAIKNIAFBMIEHBY-UHFFFAOYSA-N
MW322.37 g/mol
LogP3.15
Rot. Bonds4

About N-(4-methoxyphenyl)-5-methyl-1-(3-methylphenyl)triazole-4-carboxamide

N-(4-methoxyphenyl)-5-methyl-1-(3-methylphenyl)triazole-4-carboxamide (PubChem CID 2141179) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-5-methyl-1-(3-methylphenyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-5-methyl-1-(3-methylphenyl)triazole-4-carboxamide
PubChem CID2141179
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC NameN-(4-methoxyphenyl)-5-methyl-1-(3-methylphenyl)triazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2nnn(-c3cccc(C)c3)c2C)cc1
InChIInChI=1S/C18H18N4O2/c1-12-5-4-6-15(11-12)22-13(2)17(20-21-22)18(23)19-14-7-9-16(24-3)10-8-14/h4-11H,1-3H3,(H,19,23)
InChIKeyAIKNIAFBMIEHBY-UHFFFAOYSA-N
XLogP3.15
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-5-methyl-1-(3-methylphenyl)triazole-4-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-5-methyl-1-(3-methylphenyl)triazole-4-carboxamide (CID 2141179) is N-(4-methoxyphenyl)-5-methyl-1-(3-methylphenyl)triazole-4-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-5-methyl-1-(3-methylphenyl)triazole-4-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-5-methyl-1-(3-methylphenyl)triazole-4-carboxamide is COc1ccc(NC(=O)c2nnn(-c3cccc(C)c3)c2C)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-5-methyl-1-(3-methylphenyl)triazole-4-carboxamide?
The InChIKey is AIKNIAFBMIEHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-12-5-4-6-15(11-12)22-13(2)17(20-21-22)18(23)19-14-7-9-16(24-3)10-8-14/h4-11H,1-3H3,(H,19,23).
What are the key properties of N-(4-methoxyphenyl)-5-methyl-1-(3-methylphenyl)triazole-4-carboxamide?
N-(4-methoxyphenyl)-5-methyl-1-(3-methylphenyl)triazole-4-carboxamide has a molecular weight of 322.37 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-5-methyl-1-(3-methylphenyl)triazole-4-carboxamide is sourced from PubChem (CID 2141179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).