1-[2-fluoro-6-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]ethanamine

C10H11FN4S — CID 43189288

IUPAC1-[2-fluoro-6-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]ethanamine
SMILESCC(N)c1c(F)cccc1Sc1ncn[nH]1
InChIInChI=1S/C10H11FN4S/c1-6(12)9-7(11)3-2-4-8(9)16-10-13-5-14-15-10/h2-6H,12H2,1H3,(H,13,14,15)
InChIKeyFYRIPONFESHEGH-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.11
Rot. Bonds3

About 1-[2-fluoro-6-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]ethanamine

1-[2-fluoro-6-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]ethanamine (PubChem CID 43189288) has the molecular formula C10H11FN4S and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-[2-fluoro-6-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]ethanamine.

Molecular Properties

Compound Name1-[2-fluoro-6-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]ethanamine
PubChem CID43189288
Molecular FormulaC10H11FN4S
Molecular Weight238.29 g/mol
Exact Mass238.07
IUPAC Name1-[2-fluoro-6-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]ethanamine
SMILESCC(N)c1c(F)cccc1Sc1ncn[nH]1
InChIInChI=1S/C10H11FN4S/c1-6(12)9-7(11)3-2-4-8(9)16-10-13-5-14-15-10/h2-6H,12H2,1H3,(H,13,14,15)
InChIKeyFYRIPONFESHEGH-UHFFFAOYSA-N
XLogP2.11
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-6-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]ethanamine?
The IUPAC name of 1-[2-fluoro-6-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]ethanamine (CID 43189288) is 1-[2-fluoro-6-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]ethanamine.
What is the SMILES notation for 1-[2-fluoro-6-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]ethanamine?
The canonical SMILES for 1-[2-fluoro-6-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]ethanamine is CC(N)c1c(F)cccc1Sc1ncn[nH]1.
What is the InChIKey of 1-[2-fluoro-6-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]ethanamine?
The InChIKey is FYRIPONFESHEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4S/c1-6(12)9-7(11)3-2-4-8(9)16-10-13-5-14-15-10/h2-6H,12H2,1H3,(H,13,14,15).
What are the key properties of 1-[2-fluoro-6-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]ethanamine?
1-[2-fluoro-6-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]ethanamine has a molecular weight of 238.29 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-6-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]ethanamine is sourced from PubChem (CID 43189288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).