2-amino-2-(3-cyclobutylimidazo[1,5-a]pyridin-1-yl)ethanol

C13H17N3O — CID 83894829

IUPAC2-amino-2-(3-cyclobutylimidazo[1,5-a]pyridin-1-yl)ethanol
SMILESNC(CO)c1nc(C2CCC2)n2ccccc12
InChIInChI=1S/C13H17N3O/c14-10(8-17)12-11-6-1-2-7-16(11)13(15-12)9-4-3-5-9/h1-2,6-7,9-10,17H,3-5,8,14H2
InChIKeyDDQLHFQQGITDCX-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.59
Rot. Bonds3

About 2-amino-2-(3-cyclobutylimidazo[1,5-a]pyridin-1-yl)ethanol

2-amino-2-(3-cyclobutylimidazo[1,5-a]pyridin-1-yl)ethanol (PubChem CID 83894829) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-amino-2-(3-cyclobutylimidazo[1,5-a]pyridin-1-yl)ethanol.

Molecular Properties

Compound Name2-amino-2-(3-cyclobutylimidazo[1,5-a]pyridin-1-yl)ethanol
PubChem CID83894829
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2-amino-2-(3-cyclobutylimidazo[1,5-a]pyridin-1-yl)ethanol
SMILESNC(CO)c1nc(C2CCC2)n2ccccc12
InChIInChI=1S/C13H17N3O/c14-10(8-17)12-11-6-1-2-7-16(11)13(15-12)9-4-3-5-9/h1-2,6-7,9-10,17H,3-5,8,14H2
InChIKeyDDQLHFQQGITDCX-UHFFFAOYSA-N
XLogP1.59
TPSA63.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(3-cyclobutylimidazo[1,5-a]pyridin-1-yl)ethanol?
The IUPAC name of 2-amino-2-(3-cyclobutylimidazo[1,5-a]pyridin-1-yl)ethanol (CID 83894829) is 2-amino-2-(3-cyclobutylimidazo[1,5-a]pyridin-1-yl)ethanol.
What is the SMILES notation for 2-amino-2-(3-cyclobutylimidazo[1,5-a]pyridin-1-yl)ethanol?
The canonical SMILES for 2-amino-2-(3-cyclobutylimidazo[1,5-a]pyridin-1-yl)ethanol is NC(CO)c1nc(C2CCC2)n2ccccc12.
What is the InChIKey of 2-amino-2-(3-cyclobutylimidazo[1,5-a]pyridin-1-yl)ethanol?
The InChIKey is DDQLHFQQGITDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c14-10(8-17)12-11-6-1-2-7-16(11)13(15-12)9-4-3-5-9/h1-2,6-7,9-10,17H,3-5,8,14H2.
What are the key properties of 2-amino-2-(3-cyclobutylimidazo[1,5-a]pyridin-1-yl)ethanol?
2-amino-2-(3-cyclobutylimidazo[1,5-a]pyridin-1-yl)ethanol has a molecular weight of 231.30 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(3-cyclobutylimidazo[1,5-a]pyridin-1-yl)ethanol is sourced from PubChem (CID 83894829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).