6-(2-methylpiperidin-2-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

C10H12F3N5S — CID 114352792

IUPAC6-(2-methylpiperidin-2-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCC1(c2nn3c(C(F)(F)F)nnc3s2)CCCCN1
InChIInChI=1S/C10H12F3N5S/c1-9(4-2-3-5-14-9)7-17-18-6(10(11,12)13)15-16-8(18)19-7/h14H,2-5H2,1H3
InChIKeyBPNGDTNMSMMGQQ-UHFFFAOYSA-N
MW291.30 g/mol
LogP2.19
Rot. Bonds1

About 6-(2-methylpiperidin-2-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

6-(2-methylpiperidin-2-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 114352792) has the molecular formula C10H12F3N5S and a molecular weight of 291.30 g/mol. Its IUPAC name is 6-(2-methylpiperidin-2-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-(2-methylpiperidin-2-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID114352792
Molecular FormulaC10H12F3N5S
Molecular Weight291.30 g/mol
Exact Mass291.08
IUPAC Name6-(2-methylpiperidin-2-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCC1(c2nn3c(C(F)(F)F)nnc3s2)CCCCN1
InChIInChI=1S/C10H12F3N5S/c1-9(4-2-3-5-14-9)7-17-18-6(10(11,12)13)15-16-8(18)19-7/h14H,2-5H2,1H3
InChIKeyBPNGDTNMSMMGQQ-UHFFFAOYSA-N
XLogP2.19
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpiperidin-2-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 6-(2-methylpiperidin-2-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 114352792) is 6-(2-methylpiperidin-2-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-(2-methylpiperidin-2-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 6-(2-methylpiperidin-2-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is CC1(c2nn3c(C(F)(F)F)nnc3s2)CCCCN1.
What is the InChIKey of 6-(2-methylpiperidin-2-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is BPNGDTNMSMMGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N5S/c1-9(4-2-3-5-14-9)7-17-18-6(10(11,12)13)15-16-8(18)19-7/h14H,2-5H2,1H3.
What are the key properties of 6-(2-methylpiperidin-2-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
6-(2-methylpiperidin-2-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 291.30 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpiperidin-2-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 114352792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).