1-(4-chlorophenyl)-N-(2,6-dimethylphenyl)-5-methyltriazole-4-carboxamide

C18H17ClN4O — CID 16649357

IUPAC1-(4-chlorophenyl)-N-(2,6-dimethylphenyl)-5-methyltriazole-4-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1nnn(-c2ccc(Cl)cc2)c1C
InChIInChI=1S/C18H17ClN4O/c1-11-5-4-6-12(2)16(11)20-18(24)17-13(3)23(22-21-17)15-9-7-14(19)8-10-15/h4-10H,1-3H3,(H,20,24)
InChIKeySZHFUGOWNFECGX-UHFFFAOYSA-N
MW340.81 g/mol
LogP4.10
Rot. Bonds3

About 1-(4-chlorophenyl)-N-(2,6-dimethylphenyl)-5-methyltriazole-4-carboxamide

1-(4-chlorophenyl)-N-(2,6-dimethylphenyl)-5-methyltriazole-4-carboxamide (PubChem CID 16649357) has the molecular formula C18H17ClN4O and a molecular weight of 340.81 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(2,6-dimethylphenyl)-5-methyltriazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(2,6-dimethylphenyl)-5-methyltriazole-4-carboxamide
PubChem CID16649357
Molecular FormulaC18H17ClN4O
Molecular Weight340.81 g/mol
Exact Mass340.11
IUPAC Name1-(4-chlorophenyl)-N-(2,6-dimethylphenyl)-5-methyltriazole-4-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1nnn(-c2ccc(Cl)cc2)c1C
InChIInChI=1S/C18H17ClN4O/c1-11-5-4-6-12(2)16(11)20-18(24)17-13(3)23(22-21-17)15-9-7-14(19)8-10-15/h4-10H,1-3H3,(H,20,24)
InChIKeySZHFUGOWNFECGX-UHFFFAOYSA-N
XLogP4.10
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(2,6-dimethylphenyl)-5-methyltriazole-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-(2,6-dimethylphenyl)-5-methyltriazole-4-carboxamide (CID 16649357) is 1-(4-chlorophenyl)-N-(2,6-dimethylphenyl)-5-methyltriazole-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(2,6-dimethylphenyl)-5-methyltriazole-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-(2,6-dimethylphenyl)-5-methyltriazole-4-carboxamide is Cc1cccc(C)c1NC(=O)c1nnn(-c2ccc(Cl)cc2)c1C.
What is the InChIKey of 1-(4-chlorophenyl)-N-(2,6-dimethylphenyl)-5-methyltriazole-4-carboxamide?
The InChIKey is SZHFUGOWNFECGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O/c1-11-5-4-6-12(2)16(11)20-18(24)17-13(3)23(22-21-17)15-9-7-14(19)8-10-15/h4-10H,1-3H3,(H,20,24).
What are the key properties of 1-(4-chlorophenyl)-N-(2,6-dimethylphenyl)-5-methyltriazole-4-carboxamide?
1-(4-chlorophenyl)-N-(2,6-dimethylphenyl)-5-methyltriazole-4-carboxamide has a molecular weight of 340.81 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(2,6-dimethylphenyl)-5-methyltriazole-4-carboxamide is sourced from PubChem (CID 16649357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).