1-bromo-3-(oxolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-amine

C11H16BrN3O — CID 117248242

IUPAC1-bromo-3-(oxolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-amine
SMILESNC1CCc2c(Br)nc(C3CCOC3)n2C1
InChIInChI=1S/C11H16BrN3O/c12-10-9-2-1-8(13)5-15(9)11(14-10)7-3-4-16-6-7/h7-8H,1-6,13H2
InChIKeyQELUXIFOKXONLB-UHFFFAOYSA-N
MW286.17 g/mol
LogP1.42
Rot. Bonds1

About 1-bromo-3-(oxolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-amine

1-bromo-3-(oxolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-amine (PubChem CID 117248242) has the molecular formula C11H16BrN3O and a molecular weight of 286.17 g/mol. Its IUPAC name is 1-bromo-3-(oxolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-amine.

Molecular Properties

Compound Name1-bromo-3-(oxolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-amine
PubChem CID117248242
Molecular FormulaC11H16BrN3O
Molecular Weight286.17 g/mol
Exact Mass285.05
IUPAC Name1-bromo-3-(oxolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-amine
SMILESNC1CCc2c(Br)nc(C3CCOC3)n2C1
InChIInChI=1S/C11H16BrN3O/c12-10-9-2-1-8(13)5-15(9)11(14-10)7-3-4-16-6-7/h7-8H,1-6,13H2
InChIKeyQELUXIFOKXONLB-UHFFFAOYSA-N
XLogP1.42
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-(oxolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-amine?
The IUPAC name of 1-bromo-3-(oxolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-amine (CID 117248242) is 1-bromo-3-(oxolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-amine.
What is the SMILES notation for 1-bromo-3-(oxolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-amine?
The canonical SMILES for 1-bromo-3-(oxolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-amine is NC1CCc2c(Br)nc(C3CCOC3)n2C1.
What is the InChIKey of 1-bromo-3-(oxolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-amine?
The InChIKey is QELUXIFOKXONLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O/c12-10-9-2-1-8(13)5-15(9)11(14-10)7-3-4-16-6-7/h7-8H,1-6,13H2.
What are the key properties of 1-bromo-3-(oxolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-amine?
1-bromo-3-(oxolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-amine has a molecular weight of 286.17 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-(oxolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-amine is sourced from PubChem (CID 117248242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).