2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]acetonitrile

C15H23N5O — CID 121117959

IUPAC2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]acetonitrile
SMILESCn1nc(C2CCN(CC#N)CC2)n(C2CCCC2)c1=O
InChIInChI=1S/C15H23N5O/c1-18-15(21)20(13-4-2-3-5-13)14(17-18)12-6-9-19(10-7-12)11-8-16/h12-13H,2-7,9-11H2,1H3
InChIKeyBMIVUIINKLPHFH-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.40
Rot. Bonds3

About 2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]acetonitrile

2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]acetonitrile (PubChem CID 121117959) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]acetonitrile.

Molecular Properties

Compound Name2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]acetonitrile
PubChem CID121117959
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]acetonitrile
SMILESCn1nc(C2CCN(CC#N)CC2)n(C2CCCC2)c1=O
InChIInChI=1S/C15H23N5O/c1-18-15(21)20(13-4-2-3-5-13)14(17-18)12-6-9-19(10-7-12)11-8-16/h12-13H,2-7,9-11H2,1H3
InChIKeyBMIVUIINKLPHFH-UHFFFAOYSA-N
XLogP1.40
TPSA66.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

Analyze 2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]acetonitrile 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 2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]acetonitrile?
The IUPAC name of 2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]acetonitrile (CID 121117959) is 2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]acetonitrile.
What is the SMILES notation for 2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]acetonitrile?
The canonical SMILES for 2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]acetonitrile is Cn1nc(C2CCN(CC#N)CC2)n(C2CCCC2)c1=O.
What is the InChIKey of 2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]acetonitrile?
The InChIKey is BMIVUIINKLPHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-18-15(21)20(13-4-2-3-5-13)14(17-18)12-6-9-19(10-7-12)11-8-16/h12-13H,2-7,9-11H2,1H3.
What are the key properties of 2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]acetonitrile?
2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]acetonitrile has a molecular weight of 289.38 g/mol, XLogP of 1.40, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]acetonitrile is sourced from PubChem (CID 121117959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).