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

C10H11FN4S — CID 104603455

IUPAC[5-fluoro-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]methanamine
SMILESCn1ncnc1Sc1ccc(F)cc1CN
InChIInChI=1S/C10H11FN4S/c1-15-10(13-6-14-15)16-9-3-2-8(11)4-7(9)5-12/h2-4,6H,5,12H2,1H3
InChIKeyWPXMEHJOAHIDBX-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.56
Rot. Bonds3

About [5-fluoro-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]methanamine

[5-fluoro-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]methanamine (PubChem CID 104603455) has the molecular formula C10H11FN4S and a molecular weight of 238.29 g/mol. Its IUPAC name is [5-fluoro-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]methanamine.

Molecular Properties

Compound Name[5-fluoro-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]methanamine
PubChem CID104603455
Molecular FormulaC10H11FN4S
Molecular Weight238.29 g/mol
Exact Mass238.07
IUPAC Name[5-fluoro-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]methanamine
SMILESCn1ncnc1Sc1ccc(F)cc1CN
InChIInChI=1S/C10H11FN4S/c1-15-10(13-6-14-15)16-9-3-2-8(11)4-7(9)5-12/h2-4,6H,5,12H2,1H3
InChIKeyWPXMEHJOAHIDBX-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 [5-fluoro-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]methanamine?
The IUPAC name of [5-fluoro-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]methanamine (CID 104603455) is [5-fluoro-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]methanamine.
What is the SMILES notation for [5-fluoro-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]methanamine?
The canonical SMILES for [5-fluoro-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]methanamine is Cn1ncnc1Sc1ccc(F)cc1CN.
What is the InChIKey of [5-fluoro-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]methanamine?
The InChIKey is WPXMEHJOAHIDBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4S/c1-15-10(13-6-14-15)16-9-3-2-8(11)4-7(9)5-12/h2-4,6H,5,12H2,1H3.
What are the key properties of [5-fluoro-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]methanamine?
[5-fluoro-2-[(2-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 [5-fluoro-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]methanamine is sourced from PubChem (CID 104603455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).