3-(oxan-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-ol

C13H20N2O2 — CID 117149895

IUPAC3-(oxan-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-ol
SMILESOC1CCCc2cnc(CC3CCOCC3)n21
InChIInChI=1S/C13H20N2O2/c16-13-3-1-2-11-9-14-12(15(11)13)8-10-4-6-17-7-5-10/h9-10,13,16H,1-8H2
InChIKeyCNUJWKMLVNWGDI-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.68
Rot. Bonds2

About 3-(oxan-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-ol

3-(oxan-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-ol (PubChem CID 117149895) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-(oxan-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-ol.

Molecular Properties

Compound Name3-(oxan-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-ol
PubChem CID117149895
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name3-(oxan-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-ol
SMILESOC1CCCc2cnc(CC3CCOCC3)n21
InChIInChI=1S/C13H20N2O2/c16-13-3-1-2-11-9-14-12(15(11)13)8-10-4-6-17-7-5-10/h9-10,13,16H,1-8H2
InChIKeyCNUJWKMLVNWGDI-UHFFFAOYSA-N
XLogP1.68
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(oxan-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-ol?
The IUPAC name of 3-(oxan-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-ol (CID 117149895) is 3-(oxan-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-ol.
What is the SMILES notation for 3-(oxan-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-ol?
The canonical SMILES for 3-(oxan-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-ol is OC1CCCc2cnc(CC3CCOCC3)n21.
What is the InChIKey of 3-(oxan-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-ol?
The InChIKey is CNUJWKMLVNWGDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c16-13-3-1-2-11-9-14-12(15(11)13)8-10-4-6-17-7-5-10/h9-10,13,16H,1-8H2.
What are the key properties of 3-(oxan-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-ol?
3-(oxan-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-ol has a molecular weight of 236.31 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-ol is sourced from PubChem (CID 117149895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).