1,5-diphenyl-N'-[(E)-3-pyridin-3-ylprop-2-enoyl]-1,2,4-triazole-3-carbohydrazide

C23H18N6O2 — CID 38041824

IUPAC1,5-diphenyl-N'-[(E)-3-pyridin-3-ylprop-2-enoyl]-1,2,4-triazole-3-carbohydrazide
SMILESO=C(/C=C/c1cccnc1)NNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C23H18N6O2/c30-20(14-13-17-8-7-15-24-16-17)26-27-23(31)21-25-22(18-9-3-1-4-10-18)29(28-21)19-11-5-2-6-12-19/h1-16H,(H,26,30)(H,27,31)/b14-13+
InChIKeySVWIKMRBEHXHNM-BUHFOSPRSA-N
MW410.44 g/mol
LogP2.80
Rot. Bonds5

About 1,5-diphenyl-N'-[(E)-3-pyridin-3-ylprop-2-enoyl]-1,2,4-triazole-3-carbohydrazide

1,5-diphenyl-N'-[(E)-3-pyridin-3-ylprop-2-enoyl]-1,2,4-triazole-3-carbohydrazide (PubChem CID 38041824) has the molecular formula C23H18N6O2 and a molecular weight of 410.44 g/mol. Its IUPAC name is 1,5-diphenyl-N'-[(E)-3-pyridin-3-ylprop-2-enoyl]-1,2,4-triazole-3-carbohydrazide.

Molecular Properties

Compound Name1,5-diphenyl-N'-[(E)-3-pyridin-3-ylprop-2-enoyl]-1,2,4-triazole-3-carbohydrazide
PubChem CID38041824
Molecular FormulaC23H18N6O2
Molecular Weight410.44 g/mol
Exact Mass410.15
IUPAC Name1,5-diphenyl-N'-[(E)-3-pyridin-3-ylprop-2-enoyl]-1,2,4-triazole-3-carbohydrazide
SMILESO=C(/C=C/c1cccnc1)NNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C23H18N6O2/c30-20(14-13-17-8-7-15-24-16-17)26-27-23(31)21-25-22(18-9-3-1-4-10-18)29(28-21)19-11-5-2-6-12-19/h1-16H,(H,26,30)(H,27,31)/b14-13+
InChIKeySVWIKMRBEHXHNM-BUHFOSPRSA-N
XLogP2.80
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.44
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1,5-diphenyl-N'-[(E)-3-pyridin-3-ylprop-2-enoyl]-1,2,4-triazole-3-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,5-diphenyl-N-[(Z)-pyridin-3-ylmethylideneamino]-1,2,4-triazole-3-carboxamide
CID 29227850
N-cyclopropyl-4-[(E)-3-[2-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)hydrazinyl]-3-oxoprop-1-enyl]benzamide
CID 46569141
N'-(2-chlorobenzoyl)-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide
CID 35929530
N-(cinnamylideneamino)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 3378020
N-(4-bromophenyl)-5-phenyl-1-pyridin-3-yl-1,2,4-triazole-3-carboxamide
CID 11647434
N'-(cyclopropanecarbonyl)-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide
CID 2448076
1,5-diphenyl-1,2,4-triazole-3-carbohydrazide
CID 2451355
N'-(2,2-dichloro-1-methylcyclopropanecarbonyl)-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide
CID 46666855
N-[2-[2-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)hydrazinyl]-2-oxoethyl]-2-phenoxyacetamide
CID 24540560
N-methyl-3-pyridin-3-ylprop-2-enamide
CID 73116356
2-(3-pyridin-3-ylprop-2-enoylamino)benzoic acid
CID 68947325
5-(3-methoxyphenyl)-1-phenyl-N-(pyridin-3-ylmethyl)-1,2,4-triazole-3-carboxamide
CID 17052447

Frequently Asked Questions

What is the IUPAC name of 1,5-diphenyl-N'-[(E)-3-pyridin-3-ylprop-2-enoyl]-1,2,4-triazole-3-carbohydrazide?
The IUPAC name of 1,5-diphenyl-N'-[(E)-3-pyridin-3-ylprop-2-enoyl]-1,2,4-triazole-3-carbohydrazide (CID 38041824) is 1,5-diphenyl-N'-[(E)-3-pyridin-3-ylprop-2-enoyl]-1,2,4-triazole-3-carbohydrazide.
What is the SMILES notation for 1,5-diphenyl-N'-[(E)-3-pyridin-3-ylprop-2-enoyl]-1,2,4-triazole-3-carbohydrazide?
The canonical SMILES for 1,5-diphenyl-N'-[(E)-3-pyridin-3-ylprop-2-enoyl]-1,2,4-triazole-3-carbohydrazide is O=C(/C=C/c1cccnc1)NNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1.
What is the InChIKey of 1,5-diphenyl-N'-[(E)-3-pyridin-3-ylprop-2-enoyl]-1,2,4-triazole-3-carbohydrazide?
The InChIKey is SVWIKMRBEHXHNM-BUHFOSPRSA-N. The full InChI is InChI=1S/C23H18N6O2/c30-20(14-13-17-8-7-15-24-16-17)26-27-23(31)21-25-22(18-9-3-1-4-10-18)29(28-21)19-11-5-2-6-12-19/h1-16H,(H,26,30)(H,27,31)/b14-13+.
What are the key properties of 1,5-diphenyl-N'-[(E)-3-pyridin-3-ylprop-2-enoyl]-1,2,4-triazole-3-carbohydrazide?
1,5-diphenyl-N'-[(E)-3-pyridin-3-ylprop-2-enoyl]-1,2,4-triazole-3-carbohydrazide has a molecular weight of 410.44 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-diphenyl-N'-[(E)-3-pyridin-3-ylprop-2-enoyl]-1,2,4-triazole-3-carbohydrazide is sourced from PubChem (CID 38041824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).