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

C12H17F3N4O — CID 81250907

IUPACN-methyl-4-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]oxolan-3-amine
SMILESCNC1COCC1c1nnc2n1CC(C(F)(F)F)CC2
InChIInChI=1S/C12H17F3N4O/c1-16-9-6-20-5-8(9)11-18-17-10-3-2-7(4-19(10)11)12(13,14)15/h7-9,16H,2-6H2,1H3
InChIKeyDEXIWSZVMVDRBI-UHFFFAOYSA-N
MW290.29 g/mol
LogP1.10
Rot. Bonds2

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

N-methyl-4-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]oxolan-3-amine (PubChem CID 81250907) has the molecular formula C12H17F3N4O and a molecular weight of 290.29 g/mol. Its IUPAC name is N-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 NameN-methyl-4-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]oxolan-3-amine
PubChem CID81250907
Molecular FormulaC12H17F3N4O
Molecular Weight290.29 g/mol
Exact Mass290.14
IUPAC NameN-methyl-4-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]oxolan-3-amine
SMILESCNC1COCC1c1nnc2n1CC(C(F)(F)F)CC2
InChIInChI=1S/C12H17F3N4O/c1-16-9-6-20-5-8(9)11-18-17-10-3-2-7(4-19(10)11)12(13,14)15/h7-9,16H,2-6H2,1H3
InChIKeyDEXIWSZVMVDRBI-UHFFFAOYSA-N
XLogP1.10
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-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 N-methyl-4-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]oxolan-3-amine (CID 81250907) is N-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 N-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 N-methyl-4-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]oxolan-3-amine is CNC1COCC1c1nnc2n1CC(C(F)(F)F)CC2.
What is the InChIKey of N-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 DEXIWSZVMVDRBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O/c1-16-9-6-20-5-8(9)11-18-17-10-3-2-7(4-19(10)11)12(13,14)15/h7-9,16H,2-6H2,1H3.
What are the key properties of N-methyl-4-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]oxolan-3-amine?
N-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 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-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 81250907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).