N'-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)-1-pyrimidin-2-ylpiperidine-3-carbohydrazide

C25H24N8O2 — CID 55576324

IUPACN'-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)-1-pyrimidin-2-ylpiperidine-3-carbohydrazide
SMILESO=C(NNC(=O)C1CCCN(c2ncccn2)C1)c1nc(-c2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C25H24N8O2/c34-23(19-11-7-16-32(17-19)25-26-14-8-15-27-25)29-30-24(35)21-28-22(18-9-3-1-4-10-18)33(31-21)20-12-5-2-6-13-20/h1-6,8-10,12-15,19H,7,11,16-17H2,(H,29,34)(H,30,35)
InChIKeyVJFIOTOPDNTWEO-UHFFFAOYSA-N
MW468.52 g/mol
LogP2.40
Rot. Bonds5

About N'-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)-1-pyrimidin-2-ylpiperidine-3-carbohydrazide

N'-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)-1-pyrimidin-2-ylpiperidine-3-carbohydrazide (PubChem CID 55576324) has the molecular formula C25H24N8O2 and a molecular weight of 468.52 g/mol. Its IUPAC name is N'-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)-1-pyrimidin-2-ylpiperidine-3-carbohydrazide.

Molecular Properties

Compound NameN'-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)-1-pyrimidin-2-ylpiperidine-3-carbohydrazide
PubChem CID55576324
Molecular FormulaC25H24N8O2
Molecular Weight468.52 g/mol
Exact Mass468.20
IUPAC NameN'-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)-1-pyrimidin-2-ylpiperidine-3-carbohydrazide
SMILESO=C(NNC(=O)C1CCCN(c2ncccn2)C1)c1nc(-c2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C25H24N8O2/c34-23(19-11-7-16-32(17-19)25-26-14-8-15-27-25)29-30-24(35)21-28-22(18-9-3-1-4-10-18)33(31-21)20-12-5-2-6-13-20/h1-6,8-10,12-15,19H,7,11,16-17H2,(H,29,34)(H,30,35)
InChIKeyVJFIOTOPDNTWEO-UHFFFAOYSA-N
XLogP2.40
TPSA117.93 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.52
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N'-(oxane-4-carbonyl)-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide
CID 30992875
(3R)-N-phenyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 51443831
(3S)-N'-(4-methoxybenzoyl)-1-pyrimidin-2-ylpiperidine-3-carbohydrazide
CID 7435428
4-oxo-N'-(1-pyrimidin-2-ylpiperidine-3-carbonyl)-3H-phthalazine-1-carbohydrazide
CID 55578709
(3S)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 37037042
N'-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)-1-(furan-2-carbonyl)piperidine-4-carbohydrazide
CID 46612326
N-(2-phenylethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 3221429
N-(3-bromo-4-methylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 134053965
1-methyl-N'-(1-pyrimidin-2-ylpiperidine-3-carbonyl)indole-3-carbohydrazide
CID 134034978
(3S)-N-(benzenesulfonyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 94185832
1-pyrimidin-2-ylpiperidine-3-carboxylic acid;hydrochloride
CID 45075103
N'-(2-chlorobenzoyl)-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide
CID 35929530

Frequently Asked Questions

What is the IUPAC name of N'-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)-1-pyrimidin-2-ylpiperidine-3-carbohydrazide?
The IUPAC name of N'-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)-1-pyrimidin-2-ylpiperidine-3-carbohydrazide (CID 55576324) is N'-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)-1-pyrimidin-2-ylpiperidine-3-carbohydrazide.
What is the SMILES notation for N'-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)-1-pyrimidin-2-ylpiperidine-3-carbohydrazide?
The canonical SMILES for N'-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)-1-pyrimidin-2-ylpiperidine-3-carbohydrazide is O=C(NNC(=O)C1CCCN(c2ncccn2)C1)c1nc(-c2ccccc2)n(-c2ccccc2)n1.
What is the InChIKey of N'-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)-1-pyrimidin-2-ylpiperidine-3-carbohydrazide?
The InChIKey is VJFIOTOPDNTWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N8O2/c34-23(19-11-7-16-32(17-19)25-26-14-8-15-27-25)29-30-24(35)21-28-22(18-9-3-1-4-10-18)33(31-21)20-12-5-2-6-13-20/h1-6,8-10,12-15,19H,7,11,16-17H2,(H,29,34)(H,30,35).
What are the key properties of N'-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)-1-pyrimidin-2-ylpiperidine-3-carbohydrazide?
N'-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)-1-pyrimidin-2-ylpiperidine-3-carbohydrazide has a molecular weight of 468.52 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)-1-pyrimidin-2-ylpiperidine-3-carbohydrazide is sourced from PubChem (CID 55576324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).