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

C24H19N5O — CID 3378020

IUPACN-(cinnamylideneamino)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
SMILESO=C(NN=CC=Cc1ccccc1)c1nc(-c2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C24H19N5O/c30-24(27-25-18-10-13-19-11-4-1-5-12-19)22-26-23(20-14-6-2-7-15-20)29(28-22)21-16-8-3-9-17-21/h1-18H,(H,27,30)
InChIKeyGIQFACJYJDEQDF-UHFFFAOYSA-N
MW393.45 g/mol
LogP4.36
Rot. Bonds6

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

N-(cinnamylideneamino)-1,5-diphenyl-1,2,4-triazole-3-carboxamide (PubChem CID 3378020) has the molecular formula C24H19N5O and a molecular weight of 393.45 g/mol. Its IUPAC name is N-(cinnamylideneamino)-1,5-diphenyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-(cinnamylideneamino)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
PubChem CID3378020
Molecular FormulaC24H19N5O
Molecular Weight393.45 g/mol
Exact Mass393.16
IUPAC NameN-(cinnamylideneamino)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
SMILESO=C(NN=CC=Cc1ccccc1)c1nc(-c2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C24H19N5O/c30-24(27-25-18-10-13-19-11-4-1-5-12-19)22-26-23(20-14-6-2-7-15-20)29(28-22)21-16-8-3-9-17-21/h1-18H,(H,27,30)
InChIKeyGIQFACJYJDEQDF-UHFFFAOYSA-N
XLogP4.36
TPSA72.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

1,5-diphenyl-N-[(Z)-pyridin-3-ylmethylideneamino]-1,2,4-triazole-3-carboxamide
CID 29227850
N-[(E)-(2-hydroxyphenyl)methylideneamino]-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 135688694
5,7-dimethyl-N-[[(Z)-3-phenylprop-2-enylidene]amino]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 129440524
N-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 136820257
1,5-diphenyl-1,2,4-triazole-3-carbohydrazide
CID 2451355
[2-benzoyloxy-4-[(Z)-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)hydrazinylidene]methyl]phenyl] benzoate
CID 6035541
1,3-bis(cinnamylideneamino)urea
CID 2823909
N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 135685446
N'-(2-chlorobenzoyl)-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide
CID 35929530
2,4-dimethyl-N-[[(E)-3-phenylprop-2-enylidene]amino]-1,3-thiazole-5-carboxamide
CID 110337024
N-[(E)-(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 135685370
5-(4-chlorophenyl)-1-(3,4-dichlorophenyl)-4-methyl-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]pyrazole-3-carboxamide
CID 127034277

Frequently Asked Questions

What is the IUPAC name of N-(cinnamylideneamino)-1,5-diphenyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-(cinnamylideneamino)-1,5-diphenyl-1,2,4-triazole-3-carboxamide (CID 3378020) is N-(cinnamylideneamino)-1,5-diphenyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-(cinnamylideneamino)-1,5-diphenyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-(cinnamylideneamino)-1,5-diphenyl-1,2,4-triazole-3-carboxamide is O=C(NN=CC=Cc1ccccc1)c1nc(-c2ccccc2)n(-c2ccccc2)n1.
What is the InChIKey of N-(cinnamylideneamino)-1,5-diphenyl-1,2,4-triazole-3-carboxamide?
The InChIKey is GIQFACJYJDEQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O/c30-24(27-25-18-10-13-19-11-4-1-5-12-19)22-26-23(20-14-6-2-7-15-20)29(28-22)21-16-8-3-9-17-21/h1-18H,(H,27,30).
What are the key properties of N-(cinnamylideneamino)-1,5-diphenyl-1,2,4-triazole-3-carboxamide?
N-(cinnamylideneamino)-1,5-diphenyl-1,2,4-triazole-3-carboxamide has a molecular weight of 393.45 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cinnamylideneamino)-1,5-diphenyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 3378020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).