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

C10H11FN4S — CID 43657647

IUPAC[3-fluoro-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]methanamine
SMILESCn1cnnc1Sc1ccc(CN)cc1F
InChIInChI=1S/C10H11FN4S/c1-15-6-13-14-10(15)16-9-3-2-7(5-12)4-8(9)11/h2-4,6H,5,12H2,1H3
InChIKeyZMMIZUQJPPPVLX-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.56
Rot. Bonds3

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

[3-fluoro-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]methanamine (PubChem CID 43657647) has the molecular formula C10H11FN4S and a molecular weight of 238.29 g/mol. Its IUPAC name is [3-fluoro-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]methanamine.

Molecular Properties

Compound Name[3-fluoro-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]methanamine
PubChem CID43657647
Molecular FormulaC10H11FN4S
Molecular Weight238.29 g/mol
Exact Mass238.07
IUPAC Name[3-fluoro-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]methanamine
SMILESCn1cnnc1Sc1ccc(CN)cc1F
InChIInChI=1S/C10H11FN4S/c1-15-6-13-14-10(15)16-9-3-2-7(5-12)4-8(9)11/h2-4,6H,5,12H2,1H3
InChIKeyZMMIZUQJPPPVLX-UHFFFAOYSA-N
XLogP1.56
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-fluoro-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]methanamine?
The IUPAC name of [3-fluoro-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]methanamine (CID 43657647) is [3-fluoro-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]methanamine.
What is the SMILES notation for [3-fluoro-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]methanamine?
The canonical SMILES for [3-fluoro-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]methanamine is Cn1cnnc1Sc1ccc(CN)cc1F.
What is the InChIKey of [3-fluoro-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]methanamine?
The InChIKey is ZMMIZUQJPPPVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4S/c1-15-6-13-14-10(15)16-9-3-2-7(5-12)4-8(9)11/h2-4,6H,5,12H2,1H3.
What are the key properties of [3-fluoro-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]methanamine?
[3-fluoro-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]methanamine has a molecular weight of 238.29 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]methanamine is sourced from PubChem (CID 43657647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).