1-thiophen-2-yl-N-[[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]methanamine

C13H15F3N4S — CID 71873032

IUPAC1-thiophen-2-yl-N-[[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]methanamine
SMILESFC(F)(F)C1CCCn2c(CNCc3cccs3)nnc21
InChIInChI=1S/C13H15F3N4S/c14-13(15,16)10-4-1-5-20-11(18-19-12(10)20)8-17-7-9-3-2-6-21-9/h2-3,6,10,17H,1,4-5,7-8H2
InChIKeyFCGNOCRXDUUQEG-UHFFFAOYSA-N
MW316.35 g/mol
LogP3.07
Rot. Bonds4

About 1-thiophen-2-yl-N-[[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]methanamine

1-thiophen-2-yl-N-[[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]methanamine (PubChem CID 71873032) has the molecular formula C13H15F3N4S and a molecular weight of 316.35 g/mol. Its IUPAC name is 1-thiophen-2-yl-N-[[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]methanamine.

Molecular Properties

Compound Name1-thiophen-2-yl-N-[[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]methanamine
PubChem CID71873032
Molecular FormulaC13H15F3N4S
Molecular Weight316.35 g/mol
Exact Mass316.10
IUPAC Name1-thiophen-2-yl-N-[[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]methanamine
SMILESFC(F)(F)C1CCCn2c(CNCc3cccs3)nnc21
InChIInChI=1S/C13H15F3N4S/c14-13(15,16)10-4-1-5-20-11(18-19-12(10)20)8-17-7-9-3-2-6-21-9/h2-3,6,10,17H,1,4-5,7-8H2
InChIKeyFCGNOCRXDUUQEG-UHFFFAOYSA-N
XLogP3.07
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-thiophen-2-yl-N-[[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]methanamine?
The IUPAC name of 1-thiophen-2-yl-N-[[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]methanamine (CID 71873032) is 1-thiophen-2-yl-N-[[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]methanamine.
What is the SMILES notation for 1-thiophen-2-yl-N-[[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]methanamine?
The canonical SMILES for 1-thiophen-2-yl-N-[[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]methanamine is FC(F)(F)C1CCCn2c(CNCc3cccs3)nnc21.
What is the InChIKey of 1-thiophen-2-yl-N-[[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]methanamine?
The InChIKey is FCGNOCRXDUUQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N4S/c14-13(15,16)10-4-1-5-20-11(18-19-12(10)20)8-17-7-9-3-2-6-21-9/h2-3,6,10,17H,1,4-5,7-8H2.
What are the key properties of 1-thiophen-2-yl-N-[[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]methanamine?
1-thiophen-2-yl-N-[[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]methanamine has a molecular weight of 316.35 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-2-yl-N-[[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]methanamine is sourced from PubChem (CID 71873032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).