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

C17H17N5O2 — CID 27242858

IUPAC1-(2-methoxyphenyl)-5-methyl-N-(pyridin-2-ylmethyl)triazole-4-carboxamide
SMILESCOc1ccccc1-n1nnc(C(=O)NCc2ccccn2)c1C
InChIInChI=1S/C17H17N5O2/c1-12-16(17(23)19-11-13-7-5-6-10-18-13)20-21-22(12)14-8-3-4-9-15(14)24-2/h3-10H,11H2,1-2H3,(H,19,23)
InChIKeyHLUPCNRJBDUYPD-UHFFFAOYSA-N
MW323.36 g/mol
LogP1.91
Rot. Bonds5

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

1-(2-methoxyphenyl)-5-methyl-N-(pyridin-2-ylmethyl)triazole-4-carboxamide (PubChem CID 27242858) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-5-methyl-N-(pyridin-2-ylmethyl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-5-methyl-N-(pyridin-2-ylmethyl)triazole-4-carboxamide
PubChem CID27242858
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC Name1-(2-methoxyphenyl)-5-methyl-N-(pyridin-2-ylmethyl)triazole-4-carboxamide
SMILESCOc1ccccc1-n1nnc(C(=O)NCc2ccccn2)c1C
InChIInChI=1S/C17H17N5O2/c1-12-16(17(23)19-11-13-7-5-6-10-18-13)20-21-22(12)14-8-3-4-9-15(14)24-2/h3-10H,11H2,1-2H3,(H,19,23)
InChIKeyHLUPCNRJBDUYPD-UHFFFAOYSA-N
XLogP1.91
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-5-methyl-N-(pyridin-2-ylmethyl)triazole-4-carboxamide?
The IUPAC name of 1-(2-methoxyphenyl)-5-methyl-N-(pyridin-2-ylmethyl)triazole-4-carboxamide (CID 27242858) is 1-(2-methoxyphenyl)-5-methyl-N-(pyridin-2-ylmethyl)triazole-4-carboxamide.
What is the SMILES notation for 1-(2-methoxyphenyl)-5-methyl-N-(pyridin-2-ylmethyl)triazole-4-carboxamide?
The canonical SMILES for 1-(2-methoxyphenyl)-5-methyl-N-(pyridin-2-ylmethyl)triazole-4-carboxamide is COc1ccccc1-n1nnc(C(=O)NCc2ccccn2)c1C.
What is the InChIKey of 1-(2-methoxyphenyl)-5-methyl-N-(pyridin-2-ylmethyl)triazole-4-carboxamide?
The InChIKey is HLUPCNRJBDUYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-12-16(17(23)19-11-13-7-5-6-10-18-13)20-21-22(12)14-8-3-4-9-15(14)24-2/h3-10H,11H2,1-2H3,(H,19,23).
What are the key properties of 1-(2-methoxyphenyl)-5-methyl-N-(pyridin-2-ylmethyl)triazole-4-carboxamide?
1-(2-methoxyphenyl)-5-methyl-N-(pyridin-2-ylmethyl)triazole-4-carboxamide has a molecular weight of 323.36 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-5-methyl-N-(pyridin-2-ylmethyl)triazole-4-carboxamide is sourced from PubChem (CID 27242858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).