1-benzyl-N-(pyridin-2-ylmethyl)triazole-4-carboxamide

C16H15N5O — CID 653230

IUPAC1-benzyl-N-(pyridin-2-ylmethyl)triazole-4-carboxamide
SMILESO=C(NCc1ccccn1)c1cn(Cc2ccccc2)nn1
InChIInChI=1S/C16H15N5O/c22-16(18-10-14-8-4-5-9-17-14)15-12-21(20-19-15)11-13-6-2-1-3-7-13/h1-9,12H,10-11H2,(H,18,22)
InChIKeyJGKOKEGAKQQJOK-UHFFFAOYSA-N
MW293.33 g/mol
LogP1.65
Rot. Bonds5

About 1-benzyl-N-(pyridin-2-ylmethyl)triazole-4-carboxamide

1-benzyl-N-(pyridin-2-ylmethyl)triazole-4-carboxamide (PubChem CID 653230) has the molecular formula C16H15N5O and a molecular weight of 293.33 g/mol. Its IUPAC name is 1-benzyl-N-(pyridin-2-ylmethyl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(pyridin-2-ylmethyl)triazole-4-carboxamide
PubChem CID653230
Molecular FormulaC16H15N5O
Molecular Weight293.33 g/mol
Exact Mass293.13
IUPAC Name1-benzyl-N-(pyridin-2-ylmethyl)triazole-4-carboxamide
SMILESO=C(NCc1ccccn1)c1cn(Cc2ccccc2)nn1
InChIInChI=1S/C16H15N5O/c22-16(18-10-14-8-4-5-9-17-14)15-12-21(20-19-15)11-13-6-2-1-3-7-13/h1-9,12H,10-11H2,(H,18,22)
InChIKeyJGKOKEGAKQQJOK-UHFFFAOYSA-N
XLogP1.65
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 5300647
5,6-Diaryl-pyrazine-2-amide derivative, 6b
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CID 134141860
N-(4-methylphenyl)pyrazine-2-carboxamide
CID 746705
N-(4-methylbenzyl)-2-pyrazinecarboxamide
CID 897112
N-(3-methylphenyl)pyrazine-2-carboxamide
CID 743190
N-isopropyl-5,6-dip-tolylpyrazine-2-carboxamide
CID 44440708
N-isopentyl-5,6-dip-tolylpyrazine-2-carboxamide
CID 44440709
2-benzyl-N-cyclopropyl-6-(1-methyl-1H-1,2,3-triazol-4-yl)isonicotinamide
CID 155818571
N,5,6-triphenylpyrazine-2-carboxamide
CID 10236980
N-benzylpyrazine-2-carboxamide
CID 470909
N-(3-pyridinylmethyl)-2-quinoxalinecarboxamide
CID 2738421

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(pyridin-2-ylmethyl)triazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-(pyridin-2-ylmethyl)triazole-4-carboxamide (CID 653230) is 1-benzyl-N-(pyridin-2-ylmethyl)triazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-(pyridin-2-ylmethyl)triazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-(pyridin-2-ylmethyl)triazole-4-carboxamide is O=C(NCc1ccccn1)c1cn(Cc2ccccc2)nn1.
What is the InChIKey of 1-benzyl-N-(pyridin-2-ylmethyl)triazole-4-carboxamide?
The InChIKey is JGKOKEGAKQQJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O/c22-16(18-10-14-8-4-5-9-17-14)15-12-21(20-19-15)11-13-6-2-1-3-7-13/h1-9,12H,10-11H2,(H,18,22).
What are the key properties of 1-benzyl-N-(pyridin-2-ylmethyl)triazole-4-carboxamide?
1-benzyl-N-(pyridin-2-ylmethyl)triazole-4-carboxamide has a molecular weight of 293.33 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(pyridin-2-ylmethyl)triazole-4-carboxamide is sourced from PubChem (CID 653230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).