1-(4-chlorophenyl)-5-methyl-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-1,2,4-triazole-3-carboxamide

C19H16ClN7O — CID 78902307

IUPAC1-(4-chlorophenyl)-5-methyl-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-1,2,4-triazole-3-carboxamide
SMILESCc1nccn1-c1ccc(NC(=O)c2nc(C)n(-c3ccc(Cl)cc3)n2)cn1
InChIInChI=1S/C19H16ClN7O/c1-12-21-9-10-26(12)17-8-5-15(11-22-17)24-19(28)18-23-13(2)27(25-18)16-6-3-14(20)4-7-16/h3-11H,1-2H3,(H,24,28)
InChIKeyRULHBTYSMBVIKL-UHFFFAOYSA-N
MW393.84 g/mol
LogP3.37
Rot. Bonds4

About 1-(4-chlorophenyl)-5-methyl-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-1,2,4-triazole-3-carboxamide

1-(4-chlorophenyl)-5-methyl-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-1,2,4-triazole-3-carboxamide (PubChem CID 78902307) has the molecular formula C19H16ClN7O and a molecular weight of 393.84 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5-methyl-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-5-methyl-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-1,2,4-triazole-3-carboxamide
PubChem CID78902307
Molecular FormulaC19H16ClN7O
Molecular Weight393.84 g/mol
Exact Mass393.11
IUPAC Name1-(4-chlorophenyl)-5-methyl-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-1,2,4-triazole-3-carboxamide
SMILESCc1nccn1-c1ccc(NC(=O)c2nc(C)n(-c3ccc(Cl)cc3)n2)cn1
InChIInChI=1S/C19H16ClN7O/c1-12-21-9-10-26(12)17-8-5-15(11-22-17)24-19(28)18-23-13(2)27(25-18)16-6-3-14(20)4-7-16/h3-11H,1-2H3,(H,24,28)
InChIKeyRULHBTYSMBVIKL-UHFFFAOYSA-N
XLogP3.37
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.84
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-5-methyl-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-5-methyl-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-1,2,4-triazole-3-carboxamide (CID 78902307) is 1-(4-chlorophenyl)-5-methyl-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-5-methyl-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-5-methyl-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-1,2,4-triazole-3-carboxamide is Cc1nccn1-c1ccc(NC(=O)c2nc(C)n(-c3ccc(Cl)cc3)n2)cn1.
What is the InChIKey of 1-(4-chlorophenyl)-5-methyl-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-1,2,4-triazole-3-carboxamide?
The InChIKey is RULHBTYSMBVIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN7O/c1-12-21-9-10-26(12)17-8-5-15(11-22-17)24-19(28)18-23-13(2)27(25-18)16-6-3-14(20)4-7-16/h3-11H,1-2H3,(H,24,28).
What are the key properties of 1-(4-chlorophenyl)-5-methyl-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-1,2,4-triazole-3-carboxamide?
1-(4-chlorophenyl)-5-methyl-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-1,2,4-triazole-3-carboxamide has a molecular weight of 393.84 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-5-methyl-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 78902307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).