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

C17H15ClN4O — CID 2137572

IUPAC1-(3-chlorophenyl)-5-methyl-N-(4-methylphenyl)triazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2nnn(-c3cccc(Cl)c3)c2C)cc1
InChIInChI=1S/C17H15ClN4O/c1-11-6-8-14(9-7-11)19-17(23)16-12(2)22(21-20-16)15-5-3-4-13(18)10-15/h3-10H,1-2H3,(H,19,23)
InChIKeyYJZWXBOTMYXVBT-UHFFFAOYSA-N
MW326.79 g/mol
LogP3.79
Rot. Bonds3

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

1-(3-chlorophenyl)-5-methyl-N-(4-methylphenyl)triazole-4-carboxamide (PubChem CID 2137572) has the molecular formula C17H15ClN4O and a molecular weight of 326.79 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-5-methyl-N-(4-methylphenyl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-5-methyl-N-(4-methylphenyl)triazole-4-carboxamide
PubChem CID2137572
Molecular FormulaC17H15ClN4O
Molecular Weight326.79 g/mol
Exact Mass326.09
IUPAC Name1-(3-chlorophenyl)-5-methyl-N-(4-methylphenyl)triazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2nnn(-c3cccc(Cl)c3)c2C)cc1
InChIInChI=1S/C17H15ClN4O/c1-11-6-8-14(9-7-11)19-17(23)16-12(2)22(21-20-16)15-5-3-4-13(18)10-15/h3-10H,1-2H3,(H,19,23)
InChIKeyYJZWXBOTMYXVBT-UHFFFAOYSA-N
XLogP3.79
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.79
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chlorophenyl)-5-methyl-N-(4-piperidin-1-ylphenyl)triazole-4-carboxamide
CID 60527463
1-(3-chloro-4-methylphenyl)-5-methyl-N-(4-methylphenyl)triazole-4-carboxamide
CID 7184921
5-methyl-N-(4-methylphenyl)-1-(3-nitrophenyl)triazole-4-carboxamide
CID 31757635
1-(3-chlorophenyl)-N-(3-fluoro-4-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 55881177
1-(3-chlorophenyl)-N-(1H-indazol-5-yl)-5-methyltriazole-4-carboxamide
CID 55870098
1-(3-chloro-4-fluorophenyl)-N-(3-chlorophenyl)-5-methyltriazole-4-carboxamide
CID 58191737
1-(3-chlorophenyl)-5-methyl-N-(2-oxochromen-6-yl)triazole-4-carboxamide
CID 16649095
N-(4-fluorophenyl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide
CID 2150259
N-[2-(3-chlorophenyl)ethyl]-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide
CID 55874855
N-(4-chlorophenyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide
CID 2141048
1-(3-chlorophenyl)-N-[2-(dimethylamino)ethyl]-5-methyltriazole-4-carboxamide
CID 46858045
5-amino-1-(3-chlorophenyl)-N-(4-methoxyphenyl)triazole-4-carboxamide
CID 17015790

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-5-methyl-N-(4-methylphenyl)triazole-4-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-5-methyl-N-(4-methylphenyl)triazole-4-carboxamide (CID 2137572) is 1-(3-chlorophenyl)-5-methyl-N-(4-methylphenyl)triazole-4-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-5-methyl-N-(4-methylphenyl)triazole-4-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-5-methyl-N-(4-methylphenyl)triazole-4-carboxamide is Cc1ccc(NC(=O)c2nnn(-c3cccc(Cl)c3)c2C)cc1.
What is the InChIKey of 1-(3-chlorophenyl)-5-methyl-N-(4-methylphenyl)triazole-4-carboxamide?
The InChIKey is YJZWXBOTMYXVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O/c1-11-6-8-14(9-7-11)19-17(23)16-12(2)22(21-20-16)15-5-3-4-13(18)10-15/h3-10H,1-2H3,(H,19,23).
What are the key properties of 1-(3-chlorophenyl)-5-methyl-N-(4-methylphenyl)triazole-4-carboxamide?
1-(3-chlorophenyl)-5-methyl-N-(4-methylphenyl)triazole-4-carboxamide has a molecular weight of 326.79 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-5-methyl-N-(4-methylphenyl)triazole-4-carboxamide is sourced from PubChem (CID 2137572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).