5-methylsulfanyl-2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazol-3-amine

C10H10F3N5S — CID 2805691

IUPAC5-methylsulfanyl-2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazol-3-amine
SMILESCSc1nc(N)n(-c2cc(C(F)(F)F)cc(C)n2)n1
InChIInChI=1S/C10H10F3N5S/c1-5-3-6(10(11,12)13)4-7(15-5)18-8(14)16-9(17-18)19-2/h3-4H,1-2H3,(H2,14,16,17)
InChIKeyVTPJIFOXGUTXAN-UHFFFAOYSA-N
MW289.29 g/mol
LogP2.29
Rot. Bonds2

About 5-methylsulfanyl-2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazol-3-amine

5-methylsulfanyl-2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazol-3-amine (PubChem CID 2805691) has the molecular formula C10H10F3N5S and a molecular weight of 289.29 g/mol. Its IUPAC name is 5-methylsulfanyl-2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-methylsulfanyl-2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazol-3-amine
PubChem CID2805691
Molecular FormulaC10H10F3N5S
Molecular Weight289.29 g/mol
Exact Mass289.06
IUPAC Name5-methylsulfanyl-2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazol-3-amine
SMILESCSc1nc(N)n(-c2cc(C(F)(F)F)cc(C)n2)n1
InChIInChI=1S/C10H10F3N5S/c1-5-3-6(10(11,12)13)4-7(15-5)18-8(14)16-9(17-18)19-2/h3-4H,1-2H3,(H2,14,16,17)
InChIKeyVTPJIFOXGUTXAN-UHFFFAOYSA-N
XLogP2.29
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methylsulfanyl-2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazol-3-amine?
The IUPAC name of 5-methylsulfanyl-2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazol-3-amine (CID 2805691) is 5-methylsulfanyl-2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-methylsulfanyl-2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazol-3-amine?
The canonical SMILES for 5-methylsulfanyl-2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazol-3-amine is CSc1nc(N)n(-c2cc(C(F)(F)F)cc(C)n2)n1.
What is the InChIKey of 5-methylsulfanyl-2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazol-3-amine?
The InChIKey is VTPJIFOXGUTXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N5S/c1-5-3-6(10(11,12)13)4-7(15-5)18-8(14)16-9(17-18)19-2/h3-4H,1-2H3,(H2,14,16,17).
What are the key properties of 5-methylsulfanyl-2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazol-3-amine?
5-methylsulfanyl-2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazol-3-amine has a molecular weight of 289.29 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfanyl-2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazol-3-amine is sourced from PubChem (CID 2805691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).