5-(5-propyltriazol-1-yl)pentan-2-one

C10H17N3O — CID 130383596

IUPAC5-(5-propyltriazol-1-yl)pentan-2-one
SMILESCCCc1cnnn1CCCC(C)=O
InChIInChI=1S/C10H17N3O/c1-3-5-10-8-11-12-13(10)7-4-6-9(2)14/h8H,3-7H2,1-2H3
InChIKeyBYAYLBSRYZBYSK-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.60
Rot. Bonds6

About 5-(5-propyltriazol-1-yl)pentan-2-one

5-(5-propyltriazol-1-yl)pentan-2-one (PubChem CID 130383596) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 5-(5-propyltriazol-1-yl)pentan-2-one.

Molecular Properties

Compound Name5-(5-propyltriazol-1-yl)pentan-2-one
PubChem CID130383596
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name5-(5-propyltriazol-1-yl)pentan-2-one
SMILESCCCc1cnnn1CCCC(C)=O
InChIInChI=1S/C10H17N3O/c1-3-5-10-8-11-12-13(10)7-4-6-9(2)14/h8H,3-7H2,1-2H3
InChIKeyBYAYLBSRYZBYSK-UHFFFAOYSA-N
XLogP1.60
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(5-propyltriazol-1-yl)pentan-2-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 5-(5-propyltriazol-1-yl)pentan-2-one?
The IUPAC name of 5-(5-propyltriazol-1-yl)pentan-2-one (CID 130383596) is 5-(5-propyltriazol-1-yl)pentan-2-one.
What is the SMILES notation for 5-(5-propyltriazol-1-yl)pentan-2-one?
The canonical SMILES for 5-(5-propyltriazol-1-yl)pentan-2-one is CCCc1cnnn1CCCC(C)=O.
What is the InChIKey of 5-(5-propyltriazol-1-yl)pentan-2-one?
The InChIKey is BYAYLBSRYZBYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-3-5-10-8-11-12-13(10)7-4-6-9(2)14/h8H,3-7H2,1-2H3.
What are the key properties of 5-(5-propyltriazol-1-yl)pentan-2-one?
5-(5-propyltriazol-1-yl)pentan-2-one has a molecular weight of 195.27 g/mol, XLogP of 1.60, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-propyltriazol-1-yl)pentan-2-one is sourced from PubChem (CID 130383596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).