2-[[1-(4-methylsulfanylphenyl)triazol-4-yl]methyl]-2-(trifluoromethyl)-1H-pyridin-4-amine

C16H16F3N5S — CID 146291285

IUPAC2-[[1-(4-methylsulfanylphenyl)triazol-4-yl]methyl]-2-(trifluoromethyl)-1H-pyridin-4-amine
SMILESCSc1ccc(-n2cc(CC3(C(F)(F)F)C=C(N)C=CN3)nn2)cc1
InChIInChI=1S/C16H16F3N5S/c1-25-14-4-2-13(3-5-14)24-10-12(22-23-24)9-15(16(17,18)19)8-11(20)6-7-21-15/h2-8,10,21H,9,20H2,1H3
InChIKeyTUWWKBLLEZNMJP-UHFFFAOYSA-N
MW367.40 g/mol
LogP2.79
Rot. Bonds4

About 2-[[1-(4-methylsulfanylphenyl)triazol-4-yl]methyl]-2-(trifluoromethyl)-1H-pyridin-4-amine

2-[[1-(4-methylsulfanylphenyl)triazol-4-yl]methyl]-2-(trifluoromethyl)-1H-pyridin-4-amine (PubChem CID 146291285) has the molecular formula C16H16F3N5S and a molecular weight of 367.40 g/mol. Its IUPAC name is 2-[[1-(4-methylsulfanylphenyl)triazol-4-yl]methyl]-2-(trifluoromethyl)-1H-pyridin-4-amine.

Molecular Properties

Compound Name2-[[1-(4-methylsulfanylphenyl)triazol-4-yl]methyl]-2-(trifluoromethyl)-1H-pyridin-4-amine
PubChem CID146291285
Molecular FormulaC16H16F3N5S
Molecular Weight367.40 g/mol
Exact Mass367.11
IUPAC Name2-[[1-(4-methylsulfanylphenyl)triazol-4-yl]methyl]-2-(trifluoromethyl)-1H-pyridin-4-amine
SMILESCSc1ccc(-n2cc(CC3(C(F)(F)F)C=C(N)C=CN3)nn2)cc1
InChIInChI=1S/C16H16F3N5S/c1-25-14-4-2-13(3-5-14)24-10-12(22-23-24)9-15(16(17,18)19)8-11(20)6-7-21-15/h2-8,10,21H,9,20H2,1H3
InChIKeyTUWWKBLLEZNMJP-UHFFFAOYSA-N
XLogP2.79
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[1-(4-methylsulfanylphenyl)triazol-4-yl]methyl]-2-(trifluoromethyl)-1H-pyridin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-methylsulfanylphenyl)triazol-4-yl]methyl]-2-(trifluoromethyl)-1H-pyridin-4-amine?
The IUPAC name of 2-[[1-(4-methylsulfanylphenyl)triazol-4-yl]methyl]-2-(trifluoromethyl)-1H-pyridin-4-amine (CID 146291285) is 2-[[1-(4-methylsulfanylphenyl)triazol-4-yl]methyl]-2-(trifluoromethyl)-1H-pyridin-4-amine.
What is the SMILES notation for 2-[[1-(4-methylsulfanylphenyl)triazol-4-yl]methyl]-2-(trifluoromethyl)-1H-pyridin-4-amine?
The canonical SMILES for 2-[[1-(4-methylsulfanylphenyl)triazol-4-yl]methyl]-2-(trifluoromethyl)-1H-pyridin-4-amine is CSc1ccc(-n2cc(CC3(C(F)(F)F)C=C(N)C=CN3)nn2)cc1.
What is the InChIKey of 2-[[1-(4-methylsulfanylphenyl)triazol-4-yl]methyl]-2-(trifluoromethyl)-1H-pyridin-4-amine?
The InChIKey is TUWWKBLLEZNMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N5S/c1-25-14-4-2-13(3-5-14)24-10-12(22-23-24)9-15(16(17,18)19)8-11(20)6-7-21-15/h2-8,10,21H,9,20H2,1H3.
What are the key properties of 2-[[1-(4-methylsulfanylphenyl)triazol-4-yl]methyl]-2-(trifluoromethyl)-1H-pyridin-4-amine?
2-[[1-(4-methylsulfanylphenyl)triazol-4-yl]methyl]-2-(trifluoromethyl)-1H-pyridin-4-amine has a molecular weight of 367.40 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-methylsulfanylphenyl)triazol-4-yl]methyl]-2-(trifluoromethyl)-1H-pyridin-4-amine is sourced from PubChem (CID 146291285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).