N-ethyl-4-(5-oxo-3-phenyl-4H-1,2,4-triazol-1-yl)piperidine-1-carbohydrazide

C16H22N6O2 — CID 143294507

IUPACN-ethyl-4-(5-oxo-3-phenyl-4H-1,2,4-triazol-1-yl)piperidine-1-carbohydrazide
SMILESCCN(N)C(=O)N1CCC(n2nc(-c3ccccc3)[nH]c2=O)CC1
InChIInChI=1S/C16H22N6O2/c1-2-21(17)16(24)20-10-8-13(9-11-20)22-15(23)18-14(19-22)12-6-4-3-5-7-12/h3-7,13H,2,8-11,17H2,1H3,(H,18,19,23)
InChIKeyOBEMGRATXCTDQX-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.19
Rot. Bonds3

About N-ethyl-4-(5-oxo-3-phenyl-4H-1,2,4-triazol-1-yl)piperidine-1-carbohydrazide

N-ethyl-4-(5-oxo-3-phenyl-4H-1,2,4-triazol-1-yl)piperidine-1-carbohydrazide (PubChem CID 143294507) has the molecular formula C16H22N6O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is N-ethyl-4-(5-oxo-3-phenyl-4H-1,2,4-triazol-1-yl)piperidine-1-carbohydrazide.

Molecular Properties

Compound NameN-ethyl-4-(5-oxo-3-phenyl-4H-1,2,4-triazol-1-yl)piperidine-1-carbohydrazide
PubChem CID143294507
Molecular FormulaC16H22N6O2
Molecular Weight330.39 g/mol
Exact Mass330.18
IUPAC NameN-ethyl-4-(5-oxo-3-phenyl-4H-1,2,4-triazol-1-yl)piperidine-1-carbohydrazide
SMILESCCN(N)C(=O)N1CCC(n2nc(-c3ccccc3)[nH]c2=O)CC1
InChIInChI=1S/C16H22N6O2/c1-2-21(17)16(24)20-10-8-13(9-11-20)22-15(23)18-14(19-22)12-6-4-3-5-7-12/h3-7,13H,2,8-11,17H2,1H3,(H,18,19,23)
InChIKeyOBEMGRATXCTDQX-UHFFFAOYSA-N
XLogP1.19
TPSA100.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

benzyl 4-[3-(2-chloro-4-pyridinyl)-5-oxo-4H-1,2,4-triazol-1-yl]piperidine-1-carboxylate
CID 136814412
[(2R)-3-(3,4-dibromophenyl)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxopropan-2-yl] 4-(5-oxo-3-phenyl-4H-1,2,4-triazol-1-yl)piperidine-1-carboxylate
CID 135980586
[(2R)-3-(4-hydroxy-3,5-dimethylphenyl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl] 4-(5-oxo-3-phenyl-4H-1,2,4-triazol-1-yl)piperidine-1-carboxylate
CID 135540793
[(2R)-3-(4-hydroxy-3,5-dimethylphenyl)-1-[4-(oxan-4-yl)piperazin-1-yl]-1-oxopropan-2-yl] 4-(5-oxo-3-phenyl-4H-1,2,4-triazol-1-yl)piperidine-1-carboxylate
CID 135511675
[(2R)-3-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxopropan-2-yl] 4-(5-oxo-3-phenyl-4H-1,2,4-triazol-1-yl)piperidine-1-carboxylate
CID 135475809
(3R)-1-[4-(3,5-diphenylpyrazol-1-yl)piperidin-1-yl]-3-methylpentan-1-one
CID 92768050
benzyl 4-(3-benzyl-5-oxo-4H-1,2,4-triazol-1-yl)piperidine-1-carboxylate
CID 136814405
(3S)-1-[4-(3,5-diphenylpyrazol-1-yl)piperidin-1-yl]-3-methylpentan-1-one
CID 92768051
2-[1-[6-(1-methylindole-3-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-5-phenyl-4H-1,2,4-triazol-3-one
CID 135921520
methyl 2-[4-[1-[2-[(4-chloro-3-methylphenyl)methyl]-4-oxo-4-[4-(5-oxo-3-phenyl-4H-1,2,4-triazol-1-yl)piperidin-1-yl]butanoyl]piperidin-4-yl]piperidin-1-yl]acetate
CID 135475429
9H-fluoren-9-ylmethyl 4-[3-(3-methoxycyclohexa-1,5-dien-1-yl)-5-oxo-4H-1,2,4-triazol-1-yl]piperidine-1-carboxylate
CID 136638853
N-[3-(1H-indazol-5-yl)-1-oxo-1-(4-piperazin-1-ylpiperidin-1-yl)propan-2-yl]-4-(5-oxo-3-phenyl-4H-1,2,4-triazol-1-yl)piperidine-1-carboxamide
CID 135445281

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(5-oxo-3-phenyl-4H-1,2,4-triazol-1-yl)piperidine-1-carbohydrazide?
The IUPAC name of N-ethyl-4-(5-oxo-3-phenyl-4H-1,2,4-triazol-1-yl)piperidine-1-carbohydrazide (CID 143294507) is N-ethyl-4-(5-oxo-3-phenyl-4H-1,2,4-triazol-1-yl)piperidine-1-carbohydrazide.
What is the SMILES notation for N-ethyl-4-(5-oxo-3-phenyl-4H-1,2,4-triazol-1-yl)piperidine-1-carbohydrazide?
The canonical SMILES for N-ethyl-4-(5-oxo-3-phenyl-4H-1,2,4-triazol-1-yl)piperidine-1-carbohydrazide is CCN(N)C(=O)N1CCC(n2nc(-c3ccccc3)[nH]c2=O)CC1.
What is the InChIKey of N-ethyl-4-(5-oxo-3-phenyl-4H-1,2,4-triazol-1-yl)piperidine-1-carbohydrazide?
The InChIKey is OBEMGRATXCTDQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O2/c1-2-21(17)16(24)20-10-8-13(9-11-20)22-15(23)18-14(19-22)12-6-4-3-5-7-12/h3-7,13H,2,8-11,17H2,1H3,(H,18,19,23).
What are the key properties of N-ethyl-4-(5-oxo-3-phenyl-4H-1,2,4-triazol-1-yl)piperidine-1-carbohydrazide?
N-ethyl-4-(5-oxo-3-phenyl-4H-1,2,4-triazol-1-yl)piperidine-1-carbohydrazide has a molecular weight of 330.39 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(5-oxo-3-phenyl-4H-1,2,4-triazol-1-yl)piperidine-1-carbohydrazide is sourced from PubChem (CID 143294507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).