1-(2-methyloxolan-3-yl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine

C12H16F3N3O — CID 82736227

IUPAC1-(2-methyloxolan-3-yl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCC1OCCC1n1c(C(F)(F)F)nc2c1CCNC2
InChIInChI=1S/C12H16F3N3O/c1-7-9(3-5-19-7)18-10-2-4-16-6-8(10)17-11(18)12(13,14)15/h7,9,16H,2-6H2,1H3
InChIKeyILPJSPYSZDLEPC-UHFFFAOYSA-N
MW275.27 g/mol
LogP1.90
Rot. Bonds1

About 1-(2-methyloxolan-3-yl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine

1-(2-methyloxolan-3-yl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 82736227) has the molecular formula C12H16F3N3O and a molecular weight of 275.27 g/mol. Its IUPAC name is 1-(2-methyloxolan-3-yl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name1-(2-methyloxolan-3-yl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID82736227
Molecular FormulaC12H16F3N3O
Molecular Weight275.27 g/mol
Exact Mass275.12
IUPAC Name1-(2-methyloxolan-3-yl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCC1OCCC1n1c(C(F)(F)F)nc2c1CCNC2
InChIInChI=1S/C12H16F3N3O/c1-7-9(3-5-19-7)18-10-2-4-16-6-8(10)17-11(18)12(13,14)15/h7,9,16H,2-6H2,1H3
InChIKeyILPJSPYSZDLEPC-UHFFFAOYSA-N
XLogP1.90
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyloxolan-3-yl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 1-(2-methyloxolan-3-yl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 82736227) is 1-(2-methyloxolan-3-yl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 1-(2-methyloxolan-3-yl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 1-(2-methyloxolan-3-yl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is CC1OCCC1n1c(C(F)(F)F)nc2c1CCNC2.
What is the InChIKey of 1-(2-methyloxolan-3-yl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is ILPJSPYSZDLEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O/c1-7-9(3-5-19-7)18-10-2-4-16-6-8(10)17-11(18)12(13,14)15/h7,9,16H,2-6H2,1H3.
What are the key properties of 1-(2-methyloxolan-3-yl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
1-(2-methyloxolan-3-yl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 275.27 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyloxolan-3-yl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 82736227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).