[3-(oxan-3-yl)imidazo[1,5-a]pyridin-8-yl]methanamine

C13H17N3O — CID 117145705

IUPAC[3-(oxan-3-yl)imidazo[1,5-a]pyridin-8-yl]methanamine
SMILESNCc1cccn2c(C3CCCOC3)ncc12
InChIInChI=1S/C13H17N3O/c14-7-10-3-1-5-16-12(10)8-15-13(16)11-4-2-6-17-9-11/h1,3,5,8,11H,2,4,6-7,9,14H2
InChIKeyYFOITXYSCUXPIQ-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.69
Rot. Bonds2

About [3-(oxan-3-yl)imidazo[1,5-a]pyridin-8-yl]methanamine

[3-(oxan-3-yl)imidazo[1,5-a]pyridin-8-yl]methanamine (PubChem CID 117145705) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is [3-(oxan-3-yl)imidazo[1,5-a]pyridin-8-yl]methanamine.

Molecular Properties

Compound Name[3-(oxan-3-yl)imidazo[1,5-a]pyridin-8-yl]methanamine
PubChem CID117145705
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name[3-(oxan-3-yl)imidazo[1,5-a]pyridin-8-yl]methanamine
SMILESNCc1cccn2c(C3CCCOC3)ncc12
InChIInChI=1S/C13H17N3O/c14-7-10-3-1-5-16-12(10)8-15-13(16)11-4-2-6-17-9-11/h1,3,5,8,11H,2,4,6-7,9,14H2
InChIKeyYFOITXYSCUXPIQ-UHFFFAOYSA-N
XLogP1.69
TPSA52.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(oxan-3-yl)imidazo[1,5-a]pyridin-8-yl]methanamine?
The IUPAC name of [3-(oxan-3-yl)imidazo[1,5-a]pyridin-8-yl]methanamine (CID 117145705) is [3-(oxan-3-yl)imidazo[1,5-a]pyridin-8-yl]methanamine.
What is the SMILES notation for [3-(oxan-3-yl)imidazo[1,5-a]pyridin-8-yl]methanamine?
The canonical SMILES for [3-(oxan-3-yl)imidazo[1,5-a]pyridin-8-yl]methanamine is NCc1cccn2c(C3CCCOC3)ncc12.
What is the InChIKey of [3-(oxan-3-yl)imidazo[1,5-a]pyridin-8-yl]methanamine?
The InChIKey is YFOITXYSCUXPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c14-7-10-3-1-5-16-12(10)8-15-13(16)11-4-2-6-17-9-11/h1,3,5,8,11H,2,4,6-7,9,14H2.
What are the key properties of [3-(oxan-3-yl)imidazo[1,5-a]pyridin-8-yl]methanamine?
[3-(oxan-3-yl)imidazo[1,5-a]pyridin-8-yl]methanamine has a molecular weight of 231.30 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(oxan-3-yl)imidazo[1,5-a]pyridin-8-yl]methanamine is sourced from PubChem (CID 117145705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).