1-[3-fluoro-4-(3-propyltriazol-4-yl)phenyl]-N-methylmethanamine

C13H17FN4 — CID 114689850

IUPAC1-[3-fluoro-4-(3-propyltriazol-4-yl)phenyl]-N-methylmethanamine
SMILESCCCn1nncc1-c1ccc(CNC)cc1F
InChIInChI=1S/C13H17FN4/c1-3-6-18-13(9-16-17-18)11-5-4-10(8-15-2)7-12(11)14/h4-5,7,9,15H,3,6,8H2,1-2H3
InChIKeyLGFRXHNMDDJXLY-UHFFFAOYSA-N
MW248.30 g/mol
LogP2.21
Rot. Bonds5

About 1-[3-fluoro-4-(3-propyltriazol-4-yl)phenyl]-N-methylmethanamine

1-[3-fluoro-4-(3-propyltriazol-4-yl)phenyl]-N-methylmethanamine (PubChem CID 114689850) has the molecular formula C13H17FN4 and a molecular weight of 248.30 g/mol. Its IUPAC name is 1-[3-fluoro-4-(3-propyltriazol-4-yl)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-fluoro-4-(3-propyltriazol-4-yl)phenyl]-N-methylmethanamine
PubChem CID114689850
Molecular FormulaC13H17FN4
Molecular Weight248.30 g/mol
Exact Mass248.14
IUPAC Name1-[3-fluoro-4-(3-propyltriazol-4-yl)phenyl]-N-methylmethanamine
SMILESCCCn1nncc1-c1ccc(CNC)cc1F
InChIInChI=1S/C13H17FN4/c1-3-6-18-13(9-16-17-18)11-5-4-10(8-15-2)7-12(11)14/h4-5,7,9,15H,3,6,8H2,1-2H3
InChIKeyLGFRXHNMDDJXLY-UHFFFAOYSA-N
XLogP2.21
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[3-fluoro-4-(3-propyltriazol-4-yl)phenyl]-N-methylmethanamine 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 1-[3-fluoro-4-(3-propyltriazol-4-yl)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-fluoro-4-(3-propyltriazol-4-yl)phenyl]-N-methylmethanamine (CID 114689850) is 1-[3-fluoro-4-(3-propyltriazol-4-yl)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-fluoro-4-(3-propyltriazol-4-yl)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-fluoro-4-(3-propyltriazol-4-yl)phenyl]-N-methylmethanamine is CCCn1nncc1-c1ccc(CNC)cc1F.
What is the InChIKey of 1-[3-fluoro-4-(3-propyltriazol-4-yl)phenyl]-N-methylmethanamine?
The InChIKey is LGFRXHNMDDJXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN4/c1-3-6-18-13(9-16-17-18)11-5-4-10(8-15-2)7-12(11)14/h4-5,7,9,15H,3,6,8H2,1-2H3.
What are the key properties of 1-[3-fluoro-4-(3-propyltriazol-4-yl)phenyl]-N-methylmethanamine?
1-[3-fluoro-4-(3-propyltriazol-4-yl)phenyl]-N-methylmethanamine has a molecular weight of 248.30 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-(3-propyltriazol-4-yl)phenyl]-N-methylmethanamine is sourced from PubChem (CID 114689850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).