1-[2-fluoro-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-N-methylethanamine

C12H15FN4S — CID 43286360

IUPAC1-[2-fluoro-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-N-methylethanamine
SMILESCNC(C)c1c(F)cccc1Sc1nncn1C
InChIInChI=1S/C12H15FN4S/c1-8(14-2)11-9(13)5-4-6-10(11)18-12-16-15-7-17(12)3/h4-8,14H,1-3H3
InChIKeyGAIKKIGWWGIZQE-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.39
Rot. Bonds4

About 1-[2-fluoro-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-N-methylethanamine

1-[2-fluoro-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-N-methylethanamine (PubChem CID 43286360) has the molecular formula C12H15FN4S and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-[2-fluoro-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-fluoro-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-N-methylethanamine
PubChem CID43286360
Molecular FormulaC12H15FN4S
Molecular Weight266.34 g/mol
Exact Mass266.10
IUPAC Name1-[2-fluoro-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-N-methylethanamine
SMILESCNC(C)c1c(F)cccc1Sc1nncn1C
InChIInChI=1S/C12H15FN4S/c1-8(14-2)11-9(13)5-4-6-10(11)18-12-16-15-7-17(12)3/h4-8,14H,1-3H3
InChIKeyGAIKKIGWWGIZQE-UHFFFAOYSA-N
XLogP2.39
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-fluoro-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-N-methylethanamine 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-[2-fluoro-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-N-methylethanamine?
The IUPAC name of 1-[2-fluoro-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-N-methylethanamine (CID 43286360) is 1-[2-fluoro-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[2-fluoro-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-N-methylethanamine?
The canonical SMILES for 1-[2-fluoro-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-N-methylethanamine is CNC(C)c1c(F)cccc1Sc1nncn1C.
What is the InChIKey of 1-[2-fluoro-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-N-methylethanamine?
The InChIKey is GAIKKIGWWGIZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN4S/c1-8(14-2)11-9(13)5-4-6-10(11)18-12-16-15-7-17(12)3/h4-8,14H,1-3H3.
What are the key properties of 1-[2-fluoro-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-N-methylethanamine?
1-[2-fluoro-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-N-methylethanamine has a molecular weight of 266.34 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-N-methylethanamine is sourced from PubChem (CID 43286360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).