1,5-diphenyl-N-(pyridin-3-ylmethyl)-1,2,4-triazole-3-carboxamide

C21H17N5O — CID 17052339

IUPAC1,5-diphenyl-N-(pyridin-3-ylmethyl)-1,2,4-triazole-3-carboxamide
SMILESO=C(NCc1cccnc1)c1nc(-c2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C21H17N5O/c27-21(23-15-16-8-7-13-22-14-16)19-24-20(17-9-3-1-4-10-17)26(25-19)18-11-5-2-6-12-18/h1-14H,15H2,(H,23,27)
InChIKeyWPRFWADGJIYGNI-UHFFFAOYSA-N
MW355.40 g/mol
LogP3.26
Rot. Bonds5

About 1,5-diphenyl-N-(pyridin-3-ylmethyl)-1,2,4-triazole-3-carboxamide

1,5-diphenyl-N-(pyridin-3-ylmethyl)-1,2,4-triazole-3-carboxamide (PubChem CID 17052339) has the molecular formula C21H17N5O and a molecular weight of 355.40 g/mol. Its IUPAC name is 1,5-diphenyl-N-(pyridin-3-ylmethyl)-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1,5-diphenyl-N-(pyridin-3-ylmethyl)-1,2,4-triazole-3-carboxamide
PubChem CID17052339
Molecular FormulaC21H17N5O
Molecular Weight355.40 g/mol
Exact Mass355.14
IUPAC Name1,5-diphenyl-N-(pyridin-3-ylmethyl)-1,2,4-triazole-3-carboxamide
SMILESO=C(NCc1cccnc1)c1nc(-c2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C21H17N5O/c27-21(23-15-16-8-7-13-22-14-16)19-24-20(17-9-3-1-4-10-17)26(25-19)18-11-5-2-6-12-18/h1-14H,15H2,(H,23,27)
InChIKeyWPRFWADGJIYGNI-UHFFFAOYSA-N
XLogP3.26
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-Benzyl-3-({[5-(Pyridin-4-Yl)-4h-1,2,4-Triazol-3-Yl]methyl}amino)benzamide
CID 11494718
1-[5-[(4-Fluorophenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]propan-1-one
CID 3922884
2-[6-Chloro-3-(2,2-difluoro-2-pyridin-2-yl-ethylamino)-2-oxo-2H-pyrazin-1-yl]-N-(2-tetrazol-1-yl-benzyl)-acetamide
CID 10117895
2-[6-Chloro-3-(2,2-difluoro-2-pyridin-2-yl-ethylamino)-2-oxo-2H-pyrazin-1-yl]-N-(2-[1,2,4]triazol-1-yl-benzyl)-acetamide
CID 10207236
2-[6-chloro-3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-2-oxopyrazin-1-yl]-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide
CID 10208026
1H-Benzimidazole-2-carboxamide, N-[3-[[6-(4,5-dihydro-1H-imidazol-2-yl)-3-pyridinyl]amino]-3-oxopropyl]-1-(phenylmethyl)-
CID 25105469
1-[5-[(4-Fluorophenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]-2-methylpropan-1-one
CID 3934876
1,5-Dimethyl-2-phenyl-4-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pyrazol-3-one
CID 1315303
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(pyridin-3-yl)pyrimidin-4-yl]acetamide
CID 25138073
3-Chloro-5-[1-(3-Methylpyridin-2-Yl)-3-Phenyl-1h-1,2,4-Triazol-5-Yl]pyridin-2(1h)-One
CID 135566877
1-[3-[4-[(5-Amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]pyrrolidin-1-yl]ethanone
CID 56593838
2-[2-(2,2-difluoro-2-pyridin-2-ylethyl)imino-1,3-dihydropyrazin-4-yl]-N-[[5-methyl-2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide
CID 135998835

Frequently Asked Questions

What is the IUPAC name of 1,5-diphenyl-N-(pyridin-3-ylmethyl)-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1,5-diphenyl-N-(pyridin-3-ylmethyl)-1,2,4-triazole-3-carboxamide (CID 17052339) is 1,5-diphenyl-N-(pyridin-3-ylmethyl)-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1,5-diphenyl-N-(pyridin-3-ylmethyl)-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1,5-diphenyl-N-(pyridin-3-ylmethyl)-1,2,4-triazole-3-carboxamide is O=C(NCc1cccnc1)c1nc(-c2ccccc2)n(-c2ccccc2)n1.
What is the InChIKey of 1,5-diphenyl-N-(pyridin-3-ylmethyl)-1,2,4-triazole-3-carboxamide?
The InChIKey is WPRFWADGJIYGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O/c27-21(23-15-16-8-7-13-22-14-16)19-24-20(17-9-3-1-4-10-17)26(25-19)18-11-5-2-6-12-18/h1-14H,15H2,(H,23,27).
What are the key properties of 1,5-diphenyl-N-(pyridin-3-ylmethyl)-1,2,4-triazole-3-carboxamide?
1,5-diphenyl-N-(pyridin-3-ylmethyl)-1,2,4-triazole-3-carboxamide has a molecular weight of 355.40 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-diphenyl-N-(pyridin-3-ylmethyl)-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 17052339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).