2-(3-cyano-1,2,4-triazol-1-yl)-N-cyclopentyl-N-cyclopropylacetamide

C13H17N5O — CID 47288530

IUPAC2-(3-cyano-1,2,4-triazol-1-yl)-N-cyclopentyl-N-cyclopropylacetamide
SMILESN#Cc1ncn(CC(=O)N(C2CCCC2)C2CC2)n1
InChIInChI=1S/C13H17N5O/c14-7-12-15-9-17(16-12)8-13(19)18(11-5-6-11)10-3-1-2-4-10/h9-11H,1-6,8H2
InChIKeyKCTKHTJHCTZBNH-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.08
Rot. Bonds4

About 2-(3-cyano-1,2,4-triazol-1-yl)-N-cyclopentyl-N-cyclopropylacetamide

2-(3-cyano-1,2,4-triazol-1-yl)-N-cyclopentyl-N-cyclopropylacetamide (PubChem CID 47288530) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-(3-cyano-1,2,4-triazol-1-yl)-N-cyclopentyl-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-(3-cyano-1,2,4-triazol-1-yl)-N-cyclopentyl-N-cyclopropylacetamide
PubChem CID47288530
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name2-(3-cyano-1,2,4-triazol-1-yl)-N-cyclopentyl-N-cyclopropylacetamide
SMILESN#Cc1ncn(CC(=O)N(C2CCCC2)C2CC2)n1
InChIInChI=1S/C13H17N5O/c14-7-12-15-9-17(16-12)8-13(19)18(11-5-6-11)10-3-1-2-4-10/h9-11H,1-6,8H2
InChIKeyKCTKHTJHCTZBNH-UHFFFAOYSA-N
XLogP1.08
TPSA74.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(3-cyano-1,2,4-triazol-1-yl)-N-cyclopentyl-N-cyclopropylacetamide 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-(3-cyano-1,2,4-triazol-1-yl)-N-cyclopentyl-N-cyclopropylacetamide?
The IUPAC name of 2-(3-cyano-1,2,4-triazol-1-yl)-N-cyclopentyl-N-cyclopropylacetamide (CID 47288530) is 2-(3-cyano-1,2,4-triazol-1-yl)-N-cyclopentyl-N-cyclopropylacetamide.
What is the SMILES notation for 2-(3-cyano-1,2,4-triazol-1-yl)-N-cyclopentyl-N-cyclopropylacetamide?
The canonical SMILES for 2-(3-cyano-1,2,4-triazol-1-yl)-N-cyclopentyl-N-cyclopropylacetamide is N#Cc1ncn(CC(=O)N(C2CCCC2)C2CC2)n1.
What is the InChIKey of 2-(3-cyano-1,2,4-triazol-1-yl)-N-cyclopentyl-N-cyclopropylacetamide?
The InChIKey is KCTKHTJHCTZBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c14-7-12-15-9-17(16-12)8-13(19)18(11-5-6-11)10-3-1-2-4-10/h9-11H,1-6,8H2.
What are the key properties of 2-(3-cyano-1,2,4-triazol-1-yl)-N-cyclopentyl-N-cyclopropylacetamide?
2-(3-cyano-1,2,4-triazol-1-yl)-N-cyclopentyl-N-cyclopropylacetamide has a molecular weight of 259.31 g/mol, XLogP of 1.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyano-1,2,4-triazol-1-yl)-N-cyclopentyl-N-cyclopropylacetamide is sourced from PubChem (CID 47288530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).