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

C11H11F3N4S — CID 104603478

IUPAC[2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-5-(trifluoromethyl)phenyl]methanamine
SMILESCn1ncnc1Sc1ccc(C(F)(F)F)cc1CN
InChIInChI=1S/C11H11F3N4S/c1-18-10(16-6-17-18)19-9-3-2-8(11(12,13)14)4-7(9)5-15/h2-4,6H,5,15H2,1H3
InChIKeyLABQYTWMZNXAMA-UHFFFAOYSA-N
MW288.30 g/mol
LogP2.44
Rot. Bonds3

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

[2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-5-(trifluoromethyl)phenyl]methanamine (PubChem CID 104603478) has the molecular formula C11H11F3N4S and a molecular weight of 288.30 g/mol. Its IUPAC name is [2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-5-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name[2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-5-(trifluoromethyl)phenyl]methanamine
PubChem CID104603478
Molecular FormulaC11H11F3N4S
Molecular Weight288.30 g/mol
Exact Mass288.07
IUPAC Name[2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-5-(trifluoromethyl)phenyl]methanamine
SMILESCn1ncnc1Sc1ccc(C(F)(F)F)cc1CN
InChIInChI=1S/C11H11F3N4S/c1-18-10(16-6-17-18)19-9-3-2-8(11(12,13)14)4-7(9)5-15/h2-4,6H,5,15H2,1H3
InChIKeyLABQYTWMZNXAMA-UHFFFAOYSA-N
XLogP2.44
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-chloro-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]methanamine
CID 104603463
[4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-(trifluoromethyl)phenyl]methanol
CID 104604430
5-fluoro-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]aniline
CID 104602805
[2-(3-methylphenyl)sulfanyl-5-(trifluoromethyl)phenyl]methanamine
CID 61245087
[2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]quinolin-3-yl]methanamine
CID 104603486
(1R)-1-[3-fluoro-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]ethanol
CID 113431911
[3-fluoro-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]methanol
CID 104604417
[5-fluoro-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]methanamine
CID 63673671
3-fluoro-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]benzenecarboximidamide
CID 104603206
N-[[5-fluoro-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]methyl]-2-methoxyethanamine
CID 104604291
[2-methylsulfanyl-4-(trifluoromethyl)phenyl]methanamine
CID 162349795
(1S)-1-[3-bromo-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]ethanamine
CID 113431748

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-5-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of [2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-5-(trifluoromethyl)phenyl]methanamine (CID 104603478) is [2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-5-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for [2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-5-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for [2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-5-(trifluoromethyl)phenyl]methanamine is Cn1ncnc1Sc1ccc(C(F)(F)F)cc1CN.
What is the InChIKey of [2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-5-(trifluoromethyl)phenyl]methanamine?
The InChIKey is LABQYTWMZNXAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4S/c1-18-10(16-6-17-18)19-9-3-2-8(11(12,13)14)4-7(9)5-15/h2-4,6H,5,15H2,1H3.
What are the key properties of [2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-5-(trifluoromethyl)phenyl]methanamine?
[2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-5-(trifluoromethyl)phenyl]methanamine has a molecular weight of 288.30 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-5-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 104603478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).