N-cyclopropyl-4-[(E)-3-[2-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)hydrazinyl]-3-oxoprop-1-enyl]benzamide

C28H24N6O3 — CID 46569141

IUPACN-cyclopropyl-4-[(E)-3-[2-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)hydrazinyl]-3-oxoprop-1-enyl]benzamide
SMILESO=C(/C=C/c1ccc(C(=O)NC2CC2)cc1)NNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C28H24N6O3/c35-24(18-13-19-11-14-21(15-12-19)27(36)29-22-16-17-22)31-32-28(37)25-30-26(20-7-3-1-4-8-20)34(33-25)23-9-5-2-6-10-23/h1-15,18,22H,16-17H2,(H,29,36)(H,31,35)(H,32,37)/b18-13+
InChIKeyYXEAJVQAHYQGPQ-QGOAFFKASA-N
MW492.54 g/mol
LogP3.30
Rot. Bonds7

About N-cyclopropyl-4-[(E)-3-[2-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)hydrazinyl]-3-oxoprop-1-enyl]benzamide

N-cyclopropyl-4-[(E)-3-[2-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)hydrazinyl]-3-oxoprop-1-enyl]benzamide (PubChem CID 46569141) has the molecular formula C28H24N6O3 and a molecular weight of 492.54 g/mol. Its IUPAC name is N-cyclopropyl-4-[(E)-3-[2-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)hydrazinyl]-3-oxoprop-1-enyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[(E)-3-[2-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)hydrazinyl]-3-oxoprop-1-enyl]benzamide
PubChem CID46569141
Molecular FormulaC28H24N6O3
Molecular Weight492.54 g/mol
Exact Mass492.19
IUPAC NameN-cyclopropyl-4-[(E)-3-[2-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)hydrazinyl]-3-oxoprop-1-enyl]benzamide
SMILESO=C(/C=C/c1ccc(C(=O)NC2CC2)cc1)NNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C28H24N6O3/c35-24(18-13-19-11-14-21(15-12-19)27(36)29-22-16-17-22)31-32-28(37)25-30-26(20-7-3-1-4-8-20)34(33-25)23-9-5-2-6-10-23/h1-15,18,22H,16-17H2,(H,29,36)(H,31,35)(H,32,37)/b18-13+
InChIKeyYXEAJVQAHYQGPQ-QGOAFFKASA-N
XLogP3.30
TPSA118.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.54
LogP ≤ 53.30
H-Bond Donors ≤ 53
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'}

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Related Compounds

1,5-diphenyl-N'-[(E)-3-pyridin-3-ylprop-2-enoyl]-1,2,4-triazole-3-carbohydrazide
CID 38041824
N-cyclopropyl-4-[(E)-3-oxo-3-(4-phenylanilino)prop-1-enyl]benzamide
CID 55573881
N'-(cyclopropanecarbonyl)-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide
CID 2448076
N-cyclopropyl-4-[(E)-3-[2-(4-ethylbenzoyl)hydrazinyl]-3-oxoprop-1-enyl]benzamide
CID 134048452
N-(8-azabicyclo[3.2.1]octan-3-yl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide;hydrochloride
CID 119455718
ethyl 4-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)amino]piperidine-1-carboxylate
CID 46636610
4-[(E)-3-(cycloheptylamino)-3-oxoprop-1-enyl]-N-cyclopropylbenzamide
CID 35559791
N'-(2-chlorobenzoyl)-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide
CID 35929530
N-cyclopropyl-4-[(E)-3-oxo-3-[(1-phenylpyrazol-4-yl)methylamino]prop-1-enyl]benzamide
CID 92851724
N-(cinnamylideneamino)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 3378020
N-cyclopropyl-4-[(E)-3-[4-(1-cyclopropyltetrazol-5-yl)anilino]-3-oxoprop-1-enyl]benzamide
CID 46423867
N'-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)-5-methyl-2-phenyltriazole-4-carbohydrazide
CID 46652364

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[(E)-3-[2-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)hydrazinyl]-3-oxoprop-1-enyl]benzamide?
The IUPAC name of N-cyclopropyl-4-[(E)-3-[2-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)hydrazinyl]-3-oxoprop-1-enyl]benzamide (CID 46569141) is N-cyclopropyl-4-[(E)-3-[2-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)hydrazinyl]-3-oxoprop-1-enyl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[(E)-3-[2-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)hydrazinyl]-3-oxoprop-1-enyl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[(E)-3-[2-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)hydrazinyl]-3-oxoprop-1-enyl]benzamide is O=C(/C=C/c1ccc(C(=O)NC2CC2)cc1)NNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1.
What is the InChIKey of N-cyclopropyl-4-[(E)-3-[2-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)hydrazinyl]-3-oxoprop-1-enyl]benzamide?
The InChIKey is YXEAJVQAHYQGPQ-QGOAFFKASA-N. The full InChI is InChI=1S/C28H24N6O3/c35-24(18-13-19-11-14-21(15-12-19)27(36)29-22-16-17-22)31-32-28(37)25-30-26(20-7-3-1-4-8-20)34(33-25)23-9-5-2-6-10-23/h1-15,18,22H,16-17H2,(H,29,36)(H,31,35)(H,32,37)/b18-13+.
What are the key properties of N-cyclopropyl-4-[(E)-3-[2-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)hydrazinyl]-3-oxoprop-1-enyl]benzamide?
N-cyclopropyl-4-[(E)-3-[2-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)hydrazinyl]-3-oxoprop-1-enyl]benzamide has a molecular weight of 492.54 g/mol, XLogP of 3.30, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[(E)-3-[2-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)hydrazinyl]-3-oxoprop-1-enyl]benzamide is sourced from PubChem (CID 46569141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).