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

C12H16F3N3O — CID 64857929

IUPAC1-(oxolan-3-ylmethyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESFC(F)(F)c1nc2c(n1CC1CCOC1)CCNC2
InChIInChI=1S/C12H16F3N3O/c13-12(14,15)11-17-9-5-16-3-1-10(9)18(11)6-8-2-4-19-7-8/h8,16H,1-7H2
InChIKeyQKSDZZJVGRIDKS-UHFFFAOYSA-N
MW275.27 g/mol
LogP1.58
Rot. Bonds2

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

1-(oxolan-3-ylmethyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 64857929) has the molecular formula C12H16F3N3O and a molecular weight of 275.27 g/mol. Its IUPAC name is 1-(oxolan-3-ylmethyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name1-(oxolan-3-ylmethyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID64857929
Molecular FormulaC12H16F3N3O
Molecular Weight275.27 g/mol
Exact Mass275.12
IUPAC Name1-(oxolan-3-ylmethyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESFC(F)(F)c1nc2c(n1CC1CCOC1)CCNC2
InChIInChI=1S/C12H16F3N3O/c13-12(14,15)11-17-9-5-16-3-1-10(9)18(11)6-8-2-4-19-7-8/h8,16H,1-7H2
InChIKeyQKSDZZJVGRIDKS-UHFFFAOYSA-N
XLogP1.58
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-3-ylmethyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 1-(oxolan-3-ylmethyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 64857929) is 1-(oxolan-3-ylmethyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 1-(oxolan-3-ylmethyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 1-(oxolan-3-ylmethyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is FC(F)(F)c1nc2c(n1CC1CCOC1)CCNC2.
What is the InChIKey of 1-(oxolan-3-ylmethyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is QKSDZZJVGRIDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O/c13-12(14,15)11-17-9-5-16-3-1-10(9)18(11)6-8-2-4-19-7-8/h8,16H,1-7H2.
What are the key properties of 1-(oxolan-3-ylmethyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
1-(oxolan-3-ylmethyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 275.27 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-3-ylmethyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 64857929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).