1-(2-chlorophenyl)-5-methyl-N-(pyridin-2-ylmethyl)triazole-4-carboxamide

C16H14ClN5O — CID 27243121

IUPAC1-(2-chlorophenyl)-5-methyl-N-(pyridin-2-ylmethyl)triazole-4-carboxamide
SMILESCc1c(C(=O)NCc2ccccn2)nnn1-c1ccccc1Cl
InChIInChI=1S/C16H14ClN5O/c1-11-15(16(23)19-10-12-6-4-5-9-18-12)20-21-22(11)14-8-3-2-7-13(14)17/h2-9H,10H2,1H3,(H,19,23)
InChIKeyBGTONPNSEZUTAF-UHFFFAOYSA-N
MW327.78 g/mol
LogP2.55
Rot. Bonds4

About 1-(2-chlorophenyl)-5-methyl-N-(pyridin-2-ylmethyl)triazole-4-carboxamide

1-(2-chlorophenyl)-5-methyl-N-(pyridin-2-ylmethyl)triazole-4-carboxamide (PubChem CID 27243121) has the molecular formula C16H14ClN5O and a molecular weight of 327.78 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-5-methyl-N-(pyridin-2-ylmethyl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-5-methyl-N-(pyridin-2-ylmethyl)triazole-4-carboxamide
PubChem CID27243121
Molecular FormulaC16H14ClN5O
Molecular Weight327.78 g/mol
Exact Mass327.09
IUPAC Name1-(2-chlorophenyl)-5-methyl-N-(pyridin-2-ylmethyl)triazole-4-carboxamide
SMILESCc1c(C(=O)NCc2ccccn2)nnn1-c1ccccc1Cl
InChIInChI=1S/C16H14ClN5O/c1-11-15(16(23)19-10-12-6-4-5-9-18-12)20-21-22(11)14-8-3-2-7-13(14)17/h2-9H,10H2,1H3,(H,19,23)
InChIKeyBGTONPNSEZUTAF-UHFFFAOYSA-N
XLogP2.55
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.78
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-5-methyl-N-(pyridin-2-ylmethyl)triazole-4-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-5-methyl-N-(pyridin-2-ylmethyl)triazole-4-carboxamide (CID 27243121) is 1-(2-chlorophenyl)-5-methyl-N-(pyridin-2-ylmethyl)triazole-4-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-5-methyl-N-(pyridin-2-ylmethyl)triazole-4-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-5-methyl-N-(pyridin-2-ylmethyl)triazole-4-carboxamide is Cc1c(C(=O)NCc2ccccn2)nnn1-c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-5-methyl-N-(pyridin-2-ylmethyl)triazole-4-carboxamide?
The InChIKey is BGTONPNSEZUTAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN5O/c1-11-15(16(23)19-10-12-6-4-5-9-18-12)20-21-22(11)14-8-3-2-7-13(14)17/h2-9H,10H2,1H3,(H,19,23).
What are the key properties of 1-(2-chlorophenyl)-5-methyl-N-(pyridin-2-ylmethyl)triazole-4-carboxamide?
1-(2-chlorophenyl)-5-methyl-N-(pyridin-2-ylmethyl)triazole-4-carboxamide has a molecular weight of 327.78 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-5-methyl-N-(pyridin-2-ylmethyl)triazole-4-carboxamide is sourced from PubChem (CID 27243121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).