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

C11H11F3N4S — CID 43528926

IUPAC[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-5-(trifluoromethyl)phenyl]methanamine
SMILESCn1cnnc1Sc1ccc(C(F)(F)F)cc1CN
InChIInChI=1S/C11H11F3N4S/c1-18-6-16-17-10(18)19-9-3-2-8(11(12,13)14)4-7(9)5-15/h2-4,6H,5,15H2,1H3
InChIKeyRDKNFYYTQQWGMK-UHFFFAOYSA-N
MW288.30 g/mol
LogP2.44
Rot. Bonds3

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

[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-5-(trifluoromethyl)phenyl]methanamine (PubChem CID 43528926) has the molecular formula C11H11F3N4S and a molecular weight of 288.30 g/mol. Its IUPAC name is [2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-5-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-5-(trifluoromethyl)phenyl]methanamine
PubChem CID43528926
Molecular FormulaC11H11F3N4S
Molecular Weight288.30 g/mol
Exact Mass288.07
IUPAC Name[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-5-(trifluoromethyl)phenyl]methanamine
SMILESCn1cnnc1Sc1ccc(C(F)(F)F)cc1CN
InChIInChI=1S/C11H11F3N4S/c1-18-6-16-17-10(18)19-9-3-2-8(11(12,13)14)4-7(9)5-15/h2-4,6H,5,15H2,1H3
InChIKeyRDKNFYYTQQWGMK-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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Frequently Asked Questions

What is the IUPAC name of [2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-5-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of [2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-5-(trifluoromethyl)phenyl]methanamine (CID 43528926) is [2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-5-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for [2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-5-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for [2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-5-(trifluoromethyl)phenyl]methanamine is Cn1cnnc1Sc1ccc(C(F)(F)F)cc1CN.
What is the InChIKey of [2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-5-(trifluoromethyl)phenyl]methanamine?
The InChIKey is RDKNFYYTQQWGMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4S/c1-18-6-16-17-10(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-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-5-(trifluoromethyl)phenyl]methanamine?
[2-[(4-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-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-5-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 43528926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).