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

C11H16BrN3O — CID 117249597

IUPAC1-bromo-3-(oxolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-amine
SMILESNC1CCCn2c(C3CCOC3)nc(Br)c21
InChIInChI=1S/C11H16BrN3O/c12-10-9-8(13)2-1-4-15(9)11(14-10)7-3-5-16-6-7/h7-8H,1-6,13H2
InChIKeyBWGRHJDHAJZULW-UHFFFAOYSA-N
MW286.17 g/mol
LogP1.94
Rot. Bonds1

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

1-bromo-3-(oxolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-amine (PubChem CID 117249597) 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-8-amine.

Molecular Properties

Compound Name1-bromo-3-(oxolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-amine
PubChem CID117249597
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-8-amine
SMILESNC1CCCn2c(C3CCOC3)nc(Br)c21
InChIInChI=1S/C11H16BrN3O/c12-10-9-8(13)2-1-4-15(9)11(14-10)7-3-5-16-6-7/h7-8H,1-6,13H2
InChIKeyBWGRHJDHAJZULW-UHFFFAOYSA-N
XLogP1.94
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 ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-bromo-3-(oxolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-amine
CID 117248242
1-bromo-5-methyl-3-(oxolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 117247473
1-bromo-3-pyridin-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-amine
CID 117249828
1-chloro-3-cyclohexyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-amine
CID 117250179
[3-(oxolan-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanol
CID 117152105
4-(8-amino-1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenol
CID 137005536
8-amino-3-cyclohexyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117250183
3-(oxolan-3-yl)-6,7,8,9,10,11-hexahydro-5H-[1,2,4]triazolo[4,3-a]azonine
CID 166264357
8-methyl-2-(oxolan-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 117157615
(1-chloro-3-cyclopropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-yl)methanamine
CID 83869664
[3-(oxolan-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine
CID 105392411
2-(1-chloro-3-cyclopropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-yl)ethanamine
CID 83869662

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-(oxolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-amine?
The IUPAC name of 1-bromo-3-(oxolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-amine (CID 117249597) is 1-bromo-3-(oxolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-amine.
What is the SMILES notation for 1-bromo-3-(oxolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-amine?
The canonical SMILES for 1-bromo-3-(oxolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-amine is NC1CCCn2c(C3CCOC3)nc(Br)c21.
What is the InChIKey of 1-bromo-3-(oxolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-amine?
The InChIKey is BWGRHJDHAJZULW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O/c12-10-9-8(13)2-1-4-15(9)11(14-10)7-3-5-16-6-7/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-8-amine?
1-bromo-3-(oxolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-amine has a molecular weight of 286.17 g/mol, XLogP of 1.94, 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-8-amine is sourced from PubChem (CID 117249597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).