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

C12H17F3N4O — CID 81250908

IUPAC4-methyl-4-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]oxolan-3-amine
SMILESCC1(c2nnc3n2CC(C(F)(F)F)CC3)COCC1N
InChIInChI=1S/C12H17F3N4O/c1-11(6-20-5-8(11)16)10-18-17-9-3-2-7(4-19(9)10)12(13,14)15/h7-8H,2-6,16H2,1H3
InChIKeyNNPXSXRNRSYXIY-UHFFFAOYSA-N
MW290.29 g/mol
LogP1.02
Rot. Bonds1

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

4-methyl-4-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]oxolan-3-amine (PubChem CID 81250908) has the molecular formula C12H17F3N4O and a molecular weight of 290.29 g/mol. Its IUPAC name is 4-methyl-4-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]oxolan-3-amine.

Molecular Properties

Compound Name4-methyl-4-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]oxolan-3-amine
PubChem CID81250908
Molecular FormulaC12H17F3N4O
Molecular Weight290.29 g/mol
Exact Mass290.14
IUPAC Name4-methyl-4-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]oxolan-3-amine
SMILESCC1(c2nnc3n2CC(C(F)(F)F)CC3)COCC1N
InChIInChI=1S/C12H17F3N4O/c1-11(6-20-5-8(11)16)10-18-17-9-3-2-7(4-19(9)10)12(13,14)15/h7-8H,2-6,16H2,1H3
InChIKeyNNPXSXRNRSYXIY-UHFFFAOYSA-N
XLogP1.02
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]oxolan-3-amine?
The IUPAC name of 4-methyl-4-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]oxolan-3-amine (CID 81250908) is 4-methyl-4-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]oxolan-3-amine.
What is the SMILES notation for 4-methyl-4-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]oxolan-3-amine?
The canonical SMILES for 4-methyl-4-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]oxolan-3-amine is CC1(c2nnc3n2CC(C(F)(F)F)CC3)COCC1N.
What is the InChIKey of 4-methyl-4-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]oxolan-3-amine?
The InChIKey is NNPXSXRNRSYXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O/c1-11(6-20-5-8(11)16)10-18-17-9-3-2-7(4-19(9)10)12(13,14)15/h7-8H,2-6,16H2,1H3.
What are the key properties of 4-methyl-4-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]oxolan-3-amine?
4-methyl-4-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]oxolan-3-amine has a molecular weight of 290.29 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]oxolan-3-amine is sourced from PubChem (CID 81250908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).