5-[4-(3-fluoropropyl)triazol-1-yl]-N-methylpentanamide

C11H19FN4O — CID 135189110

IUPAC5-[4-(3-fluoropropyl)triazol-1-yl]-N-methylpentanamide
SMILESCNC(=O)CCCCn1cc(CCCF)nn1
InChIInChI=1S/C11H19FN4O/c1-13-11(17)6-2-3-8-16-9-10(14-15-16)5-4-7-12/h9H,2-8H2,1H3,(H,13,17)
InChIKeyUEKKEPCNESOJCJ-UHFFFAOYSA-N
MW242.30 g/mol
LogP1.10
Rot. Bonds8

About 5-[4-(3-fluoropropyl)triazol-1-yl]-N-methylpentanamide

5-[4-(3-fluoropropyl)triazol-1-yl]-N-methylpentanamide (PubChem CID 135189110) has the molecular formula C11H19FN4O and a molecular weight of 242.30 g/mol. Its IUPAC name is 5-[4-(3-fluoropropyl)triazol-1-yl]-N-methylpentanamide.

Molecular Properties

Compound Name5-[4-(3-fluoropropyl)triazol-1-yl]-N-methylpentanamide
PubChem CID135189110
Molecular FormulaC11H19FN4O
Molecular Weight242.30 g/mol
Exact Mass242.15
IUPAC Name5-[4-(3-fluoropropyl)triazol-1-yl]-N-methylpentanamide
SMILESCNC(=O)CCCCn1cc(CCCF)nn1
InChIInChI=1S/C11H19FN4O/c1-13-11(17)6-2-3-8-16-9-10(14-15-16)5-4-7-12/h9H,2-8H2,1H3,(H,13,17)
InChIKeyUEKKEPCNESOJCJ-UHFFFAOYSA-N
XLogP1.10
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[4-(3-fluoropropyl)triazol-1-yl]-N-methylpentanamide 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-[4-(3-fluoropropyl)triazol-1-yl]-N-methylpentanamide?
The IUPAC name of 5-[4-(3-fluoropropyl)triazol-1-yl]-N-methylpentanamide (CID 135189110) is 5-[4-(3-fluoropropyl)triazol-1-yl]-N-methylpentanamide.
What is the SMILES notation for 5-[4-(3-fluoropropyl)triazol-1-yl]-N-methylpentanamide?
The canonical SMILES for 5-[4-(3-fluoropropyl)triazol-1-yl]-N-methylpentanamide is CNC(=O)CCCCn1cc(CCCF)nn1.
What is the InChIKey of 5-[4-(3-fluoropropyl)triazol-1-yl]-N-methylpentanamide?
The InChIKey is UEKKEPCNESOJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FN4O/c1-13-11(17)6-2-3-8-16-9-10(14-15-16)5-4-7-12/h9H,2-8H2,1H3,(H,13,17).
What are the key properties of 5-[4-(3-fluoropropyl)triazol-1-yl]-N-methylpentanamide?
5-[4-(3-fluoropropyl)triazol-1-yl]-N-methylpentanamide has a molecular weight of 242.30 g/mol, XLogP of 1.10, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3-fluoropropyl)triazol-1-yl]-N-methylpentanamide is sourced from PubChem (CID 135189110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).