3-methylsulfanyl-6-(trifluoromethyl)-5H-pyrazolo[5,1-c][1,2,4]triazol-7-amine

C6H6F3N5S — CID 22571447

IUPAC3-methylsulfanyl-6-(trifluoromethyl)-5H-pyrazolo[5,1-c][1,2,4]triazol-7-amine
SMILESCSc1nnc2c(N)c(C(F)(F)F)[nH]n12
InChIInChI=1S/C6H6F3N5S/c1-15-5-12-11-4-2(10)3(6(7,8)9)13-14(4)5/h13H,10H2,1H3
InChIKeyGOIAYLNACFISLM-UHFFFAOYSA-N
MW237.21 g/mol
LogP1.38
Rot. Bonds1

About 3-methylsulfanyl-6-(trifluoromethyl)-5H-pyrazolo[5,1-c][1,2,4]triazol-7-amine

3-methylsulfanyl-6-(trifluoromethyl)-5H-pyrazolo[5,1-c][1,2,4]triazol-7-amine (PubChem CID 22571447) has the molecular formula C6H6F3N5S and a molecular weight of 237.21 g/mol. Its IUPAC name is 3-methylsulfanyl-6-(trifluoromethyl)-5H-pyrazolo[5,1-c][1,2,4]triazol-7-amine.

Molecular Properties

Compound Name3-methylsulfanyl-6-(trifluoromethyl)-5H-pyrazolo[5,1-c][1,2,4]triazol-7-amine
PubChem CID22571447
Molecular FormulaC6H6F3N5S
Molecular Weight237.21 g/mol
Exact Mass237.03
IUPAC Name3-methylsulfanyl-6-(trifluoromethyl)-5H-pyrazolo[5,1-c][1,2,4]triazol-7-amine
SMILESCSc1nnc2c(N)c(C(F)(F)F)[nH]n12
InChIInChI=1S/C6H6F3N5S/c1-15-5-12-11-4-2(10)3(6(7,8)9)13-14(4)5/h13H,10H2,1H3
InChIKeyGOIAYLNACFISLM-UHFFFAOYSA-N
XLogP1.38
TPSA72.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.21
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyl-6-(trifluoromethyl)-5H-pyrazolo[5,1-c][1,2,4]triazol-7-amine?
The IUPAC name of 3-methylsulfanyl-6-(trifluoromethyl)-5H-pyrazolo[5,1-c][1,2,4]triazol-7-amine (CID 22571447) is 3-methylsulfanyl-6-(trifluoromethyl)-5H-pyrazolo[5,1-c][1,2,4]triazol-7-amine.
What is the SMILES notation for 3-methylsulfanyl-6-(trifluoromethyl)-5H-pyrazolo[5,1-c][1,2,4]triazol-7-amine?
The canonical SMILES for 3-methylsulfanyl-6-(trifluoromethyl)-5H-pyrazolo[5,1-c][1,2,4]triazol-7-amine is CSc1nnc2c(N)c(C(F)(F)F)[nH]n12.
What is the InChIKey of 3-methylsulfanyl-6-(trifluoromethyl)-5H-pyrazolo[5,1-c][1,2,4]triazol-7-amine?
The InChIKey is GOIAYLNACFISLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N5S/c1-15-5-12-11-4-2(10)3(6(7,8)9)13-14(4)5/h13H,10H2,1H3.
What are the key properties of 3-methylsulfanyl-6-(trifluoromethyl)-5H-pyrazolo[5,1-c][1,2,4]triazol-7-amine?
3-methylsulfanyl-6-(trifluoromethyl)-5H-pyrazolo[5,1-c][1,2,4]triazol-7-amine has a molecular weight of 237.21 g/mol, XLogP of 1.38, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-6-(trifluoromethyl)-5H-pyrazolo[5,1-c][1,2,4]triazol-7-amine is sourced from PubChem (CID 22571447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).