3-ethylsulfanyl-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-4-amine

C11H11F3N4S — CID 57385487

IUPAC3-ethylsulfanyl-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-4-amine
SMILESCCSc1nnc(-c2ccc(C(F)(F)F)cc2)n1N
InChIInChI=1S/C11H11F3N4S/c1-2-19-10-17-16-9(18(10)15)7-3-5-8(6-4-7)11(12,13)14/h3-6H,2,15H2,1H3
InChIKeyCURZBWYWMPZUKH-UHFFFAOYSA-N
MW288.30 g/mol
LogP2.79
Rot. Bonds3

About 3-ethylsulfanyl-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-4-amine

3-ethylsulfanyl-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-4-amine (PubChem CID 57385487) has the molecular formula C11H11F3N4S and a molecular weight of 288.30 g/mol. Its IUPAC name is 3-ethylsulfanyl-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-4-amine.

Molecular Properties

Compound Name3-ethylsulfanyl-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-4-amine
PubChem CID57385487
Molecular FormulaC11H11F3N4S
Molecular Weight288.30 g/mol
Exact Mass288.07
IUPAC Name3-ethylsulfanyl-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-4-amine
SMILESCCSc1nnc(-c2ccc(C(F)(F)F)cc2)n1N
InChIInChI=1S/C11H11F3N4S/c1-2-19-10-17-16-9(18(10)15)7-3-5-8(6-4-7)11(12,13)14/h3-6H,2,15H2,1H3
InChIKeyCURZBWYWMPZUKH-UHFFFAOYSA-N
XLogP2.79
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 ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfanyl-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-4-amine?
The IUPAC name of 3-ethylsulfanyl-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-4-amine (CID 57385487) is 3-ethylsulfanyl-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-4-amine.
What is the SMILES notation for 3-ethylsulfanyl-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-4-amine?
The canonical SMILES for 3-ethylsulfanyl-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-4-amine is CCSc1nnc(-c2ccc(C(F)(F)F)cc2)n1N.
What is the InChIKey of 3-ethylsulfanyl-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-4-amine?
The InChIKey is CURZBWYWMPZUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4S/c1-2-19-10-17-16-9(18(10)15)7-3-5-8(6-4-7)11(12,13)14/h3-6H,2,15H2,1H3.
What are the key properties of 3-ethylsulfanyl-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-4-amine?
3-ethylsulfanyl-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-4-amine has a molecular weight of 288.30 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfanyl-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-4-amine is sourced from PubChem (CID 57385487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).