[3-fluoro-4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]methanamine

C9H9FN4S — CID 43657630

IUPAC[3-fluoro-4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]methanamine
SMILESNCc1ccc(Sc2ncn[nH]2)c(F)c1
InChIInChI=1S/C9H9FN4S/c10-7-3-6(4-11)1-2-8(7)15-9-12-5-13-14-9/h1-3,5H,4,11H2,(H,12,13,14)
InChIKeyFMVYDYUMNUOBOA-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.55
Rot. Bonds3

About [3-fluoro-4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]methanamine

[3-fluoro-4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]methanamine (PubChem CID 43657630) has the molecular formula C9H9FN4S and a molecular weight of 224.26 g/mol. Its IUPAC name is [3-fluoro-4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]methanamine.

Molecular Properties

Compound Name[3-fluoro-4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]methanamine
PubChem CID43657630
Molecular FormulaC9H9FN4S
Molecular Weight224.26 g/mol
Exact Mass224.05
IUPAC Name[3-fluoro-4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]methanamine
SMILESNCc1ccc(Sc2ncn[nH]2)c(F)c1
InChIInChI=1S/C9H9FN4S/c10-7-3-6(4-11)1-2-8(7)15-9-12-5-13-14-9/h1-3,5H,4,11H2,(H,12,13,14)
InChIKeyFMVYDYUMNUOBOA-UHFFFAOYSA-N
XLogP1.55
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [3-fluoro-4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]methanamine 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 [3-fluoro-4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]methanamine?
The IUPAC name of [3-fluoro-4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]methanamine (CID 43657630) is [3-fluoro-4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]methanamine.
What is the SMILES notation for [3-fluoro-4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]methanamine?
The canonical SMILES for [3-fluoro-4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]methanamine is NCc1ccc(Sc2ncn[nH]2)c(F)c1.
What is the InChIKey of [3-fluoro-4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]methanamine?
The InChIKey is FMVYDYUMNUOBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN4S/c10-7-3-6(4-11)1-2-8(7)15-9-12-5-13-14-9/h1-3,5H,4,11H2,(H,12,13,14).
What are the key properties of [3-fluoro-4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]methanamine?
[3-fluoro-4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]methanamine has a molecular weight of 224.26 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]methanamine is sourced from PubChem (CID 43657630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).