4-ethyl-3-[1-(2-pyrazol-1-ylbutanoyl)piperidin-4-yl]-1H-1,2,4-triazol-5-one

C16H24N6O2 — CID 56715799

IUPAC4-ethyl-3-[1-(2-pyrazol-1-ylbutanoyl)piperidin-4-yl]-1H-1,2,4-triazol-5-one
SMILESCCC(C(=O)N1CCC(c2n[nH]c(=O)n2CC)CC1)n1cccn1
InChIInChI=1S/C16H24N6O2/c1-3-13(22-9-5-8-17-22)15(23)20-10-6-12(7-11-20)14-18-19-16(24)21(14)4-2/h5,8-9,12-13H,3-4,6-7,10-11H2,1-2H3,(H,19,24)
InChIKeyXAGUUYKPOCEYNA-UHFFFAOYSA-N
MW332.41 g/mol
LogP1.15
Rot. Bonds5

About 4-ethyl-3-[1-(2-pyrazol-1-ylbutanoyl)piperidin-4-yl]-1H-1,2,4-triazol-5-one

4-ethyl-3-[1-(2-pyrazol-1-ylbutanoyl)piperidin-4-yl]-1H-1,2,4-triazol-5-one (PubChem CID 56715799) has the molecular formula C16H24N6O2 and a molecular weight of 332.41 g/mol. Its IUPAC name is 4-ethyl-3-[1-(2-pyrazol-1-ylbutanoyl)piperidin-4-yl]-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name4-ethyl-3-[1-(2-pyrazol-1-ylbutanoyl)piperidin-4-yl]-1H-1,2,4-triazol-5-one
PubChem CID56715799
Molecular FormulaC16H24N6O2
Molecular Weight332.41 g/mol
Exact Mass332.20
IUPAC Name4-ethyl-3-[1-(2-pyrazol-1-ylbutanoyl)piperidin-4-yl]-1H-1,2,4-triazol-5-one
SMILESCCC(C(=O)N1CCC(c2n[nH]c(=O)n2CC)CC1)n1cccn1
InChIInChI=1S/C16H24N6O2/c1-3-13(22-9-5-8-17-22)15(23)20-10-6-12(7-11-20)14-18-19-16(24)21(14)4-2/h5,8-9,12-13H,3-4,6-7,10-11H2,1-2H3,(H,19,24)
InChIKeyXAGUUYKPOCEYNA-UHFFFAOYSA-N
XLogP1.15
TPSA88.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-ethyl-3-[1-(2-pyrazol-1-ylbutanoyl)piperidin-4-yl]-1H-1,2,4-triazol-5-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-[1-(2-pyrazol-1-ylbutanoyl)piperidin-4-yl]-1H-1,2,4-triazol-5-one?
The IUPAC name of 4-ethyl-3-[1-(2-pyrazol-1-ylbutanoyl)piperidin-4-yl]-1H-1,2,4-triazol-5-one (CID 56715799) is 4-ethyl-3-[1-(2-pyrazol-1-ylbutanoyl)piperidin-4-yl]-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 4-ethyl-3-[1-(2-pyrazol-1-ylbutanoyl)piperidin-4-yl]-1H-1,2,4-triazol-5-one?
The canonical SMILES for 4-ethyl-3-[1-(2-pyrazol-1-ylbutanoyl)piperidin-4-yl]-1H-1,2,4-triazol-5-one is CCC(C(=O)N1CCC(c2n[nH]c(=O)n2CC)CC1)n1cccn1.
What is the InChIKey of 4-ethyl-3-[1-(2-pyrazol-1-ylbutanoyl)piperidin-4-yl]-1H-1,2,4-triazol-5-one?
The InChIKey is XAGUUYKPOCEYNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O2/c1-3-13(22-9-5-8-17-22)15(23)20-10-6-12(7-11-20)14-18-19-16(24)21(14)4-2/h5,8-9,12-13H,3-4,6-7,10-11H2,1-2H3,(H,19,24).
What are the key properties of 4-ethyl-3-[1-(2-pyrazol-1-ylbutanoyl)piperidin-4-yl]-1H-1,2,4-triazol-5-one?
4-ethyl-3-[1-(2-pyrazol-1-ylbutanoyl)piperidin-4-yl]-1H-1,2,4-triazol-5-one has a molecular weight of 332.41 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-[1-(2-pyrazol-1-ylbutanoyl)piperidin-4-yl]-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 56715799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).