1,5-diphenyl-N-[(Z)-pyridin-3-ylmethylideneamino]-1,2,4-triazole-3-carboxamide

C21H16N6O — CID 29227850

IUPAC1,5-diphenyl-N-[(Z)-pyridin-3-ylmethylideneamino]-1,2,4-triazole-3-carboxamide
SMILESO=C(N/N=C\c1cccnc1)c1nc(-c2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C21H16N6O/c28-21(25-23-15-16-8-7-13-22-14-16)19-24-20(17-9-3-1-4-10-17)27(26-19)18-11-5-2-6-12-18/h1-15H,(H,25,28)/b23-15-
InChIKeyUBKSQNFKDIUBDA-HAHDFKILSA-N
MW368.40 g/mol
LogP3.09
Rot. Bonds5

About 1,5-diphenyl-N-[(Z)-pyridin-3-ylmethylideneamino]-1,2,4-triazole-3-carboxamide

1,5-diphenyl-N-[(Z)-pyridin-3-ylmethylideneamino]-1,2,4-triazole-3-carboxamide (PubChem CID 29227850) has the molecular formula C21H16N6O and a molecular weight of 368.40 g/mol. Its IUPAC name is 1,5-diphenyl-N-[(Z)-pyridin-3-ylmethylideneamino]-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1,5-diphenyl-N-[(Z)-pyridin-3-ylmethylideneamino]-1,2,4-triazole-3-carboxamide
PubChem CID29227850
Molecular FormulaC21H16N6O
Molecular Weight368.40 g/mol
Exact Mass368.14
IUPAC Name1,5-diphenyl-N-[(Z)-pyridin-3-ylmethylideneamino]-1,2,4-triazole-3-carboxamide
SMILESO=C(N/N=C\c1cccnc1)c1nc(-c2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C21H16N6O/c28-21(25-23-15-16-8-7-13-22-14-16)19-24-20(17-9-3-1-4-10-17)27(26-19)18-11-5-2-6-12-18/h1-15H,(H,25,28)/b23-15-
InChIKeyUBKSQNFKDIUBDA-HAHDFKILSA-N
XLogP3.09
TPSA85.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4,6-diphenyl-N-(pyridin-3-ylmethylideneamino)pyrimidine-2-carboxamide
CID 1381235
1-phenyl-N-[(E)-pyridin-3-ylmethylideneamino]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 110527620
1,5-diphenyl-N'-[(E)-3-pyridin-3-ylprop-2-enoyl]-1,2,4-triazole-3-carbohydrazide
CID 38041824
N-[(E)-(2-hydroxyphenyl)methylideneamino]-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 135688694
N-(cinnamylideneamino)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 3378020
N-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 136820257
[2-benzoyloxy-4-[(Z)-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)hydrazinylidene]methyl]phenyl] benzoate
CID 6035541
5,7-dimethyl-N-(pyridin-3-ylmethylideneamino)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 725033
N-[(E)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 46804502
N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 135685446
N-(4-bromophenyl)-5-phenyl-1-pyridin-3-yl-1,2,4-triazole-3-carboxamide
CID 11647434
4-methyl-3-phenyl-N-(pyridin-3-ylmethylideneamino)-1H-pyrazole-5-carboxamide
CID 3491644

Frequently Asked Questions

What is the IUPAC name of 1,5-diphenyl-N-[(Z)-pyridin-3-ylmethylideneamino]-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1,5-diphenyl-N-[(Z)-pyridin-3-ylmethylideneamino]-1,2,4-triazole-3-carboxamide (CID 29227850) is 1,5-diphenyl-N-[(Z)-pyridin-3-ylmethylideneamino]-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1,5-diphenyl-N-[(Z)-pyridin-3-ylmethylideneamino]-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1,5-diphenyl-N-[(Z)-pyridin-3-ylmethylideneamino]-1,2,4-triazole-3-carboxamide is O=C(N/N=C\c1cccnc1)c1nc(-c2ccccc2)n(-c2ccccc2)n1.
What is the InChIKey of 1,5-diphenyl-N-[(Z)-pyridin-3-ylmethylideneamino]-1,2,4-triazole-3-carboxamide?
The InChIKey is UBKSQNFKDIUBDA-HAHDFKILSA-N. The full InChI is InChI=1S/C21H16N6O/c28-21(25-23-15-16-8-7-13-22-14-16)19-24-20(17-9-3-1-4-10-17)27(26-19)18-11-5-2-6-12-18/h1-15H,(H,25,28)/b23-15-.
What are the key properties of 1,5-diphenyl-N-[(Z)-pyridin-3-ylmethylideneamino]-1,2,4-triazole-3-carboxamide?
1,5-diphenyl-N-[(Z)-pyridin-3-ylmethylideneamino]-1,2,4-triazole-3-carboxamide has a molecular weight of 368.40 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-diphenyl-N-[(Z)-pyridin-3-ylmethylideneamino]-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 29227850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).