6-amino-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione;hydrochloride

C12H16ClN3O3 — CID 118598681

IUPAC6-amino-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione;hydrochloride
SMILESCc1cc(N)c(=O)n2c1C(=O)NC21CCOCC1.Cl
InChIInChI=1S/C12H15N3O3.ClH/c1-7-6-8(13)11(17)15-9(7)10(16)14-12(15)2-4-18-5-3-12;/h6H,2-5,13H2,1H3,(H,14,16);1H
InChIKeyOOYKJFKTKHGTCH-UHFFFAOYSA-N
MW285.73 g/mol
LogP0.37
Rot. Bonds

About 6-amino-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione;hydrochloride

6-amino-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione;hydrochloride (PubChem CID 118598681) has the molecular formula C12H16ClN3O3 and a molecular weight of 285.73 g/mol. Its IUPAC name is 6-amino-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione;hydrochloride.

Molecular Properties

Compound Name6-amino-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione;hydrochloride
PubChem CID118598681
Molecular FormulaC12H16ClN3O3
Molecular Weight285.73 g/mol
Exact Mass285.09
IUPAC Name6-amino-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione;hydrochloride
SMILESCc1cc(N)c(=O)n2c1C(=O)NC21CCOCC1.Cl
InChIInChI=1S/C12H15N3O3.ClH/c1-7-6-8(13)11(17)15-9(7)10(16)14-12(15)2-4-18-5-3-12;/h6H,2-5,13H2,1H3,(H,14,16);1H
InChIKeyOOYKJFKTKHGTCH-UHFFFAOYSA-N
XLogP0.37
TPSA86.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione;hydrochloride?
The IUPAC name of 6-amino-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione;hydrochloride (CID 118598681) is 6-amino-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione;hydrochloride.
What is the SMILES notation for 6-amino-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione;hydrochloride?
The canonical SMILES for 6-amino-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione;hydrochloride is Cc1cc(N)c(=O)n2c1C(=O)NC21CCOCC1.Cl.
What is the InChIKey of 6-amino-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione;hydrochloride?
The InChIKey is OOYKJFKTKHGTCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3.ClH/c1-7-6-8(13)11(17)15-9(7)10(16)14-12(15)2-4-18-5-3-12;/h6H,2-5,13H2,1H3,(H,14,16);1H.
What are the key properties of 6-amino-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione;hydrochloride?
6-amino-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione;hydrochloride has a molecular weight of 285.73 g/mol, XLogP of 0.37, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione;hydrochloride is sourced from PubChem (CID 118598681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).