3-(5-methyloxolan-2-yl)-6H-imidazo[4,5-d]pyridazin-7-one

C10H12N4O2 — CID 134398103

IUPAC3-(5-methyloxolan-2-yl)-6H-imidazo[4,5-d]pyridazin-7-one
SMILESCC1CCC(n2cnc3c(=O)[nH]ncc32)O1
InChIInChI=1S/C10H12N4O2/c1-6-2-3-8(16-6)14-5-11-9-7(14)4-12-13-10(9)15/h4-6,8H,2-3H2,1H3,(H,13,15)
InChIKeyOEBOBOUKAQLPNH-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.82
Rot. Bonds1

About 3-(5-methyloxolan-2-yl)-6H-imidazo[4,5-d]pyridazin-7-one

3-(5-methyloxolan-2-yl)-6H-imidazo[4,5-d]pyridazin-7-one (PubChem CID 134398103) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is 3-(5-methyloxolan-2-yl)-6H-imidazo[4,5-d]pyridazin-7-one.

Molecular Properties

Compound Name3-(5-methyloxolan-2-yl)-6H-imidazo[4,5-d]pyridazin-7-one
PubChem CID134398103
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Name3-(5-methyloxolan-2-yl)-6H-imidazo[4,5-d]pyridazin-7-one
SMILESCC1CCC(n2cnc3c(=O)[nH]ncc32)O1
InChIInChI=1S/C10H12N4O2/c1-6-2-3-8(16-6)14-5-11-9-7(14)4-12-13-10(9)15/h4-6,8H,2-3H2,1H3,(H,13,15)
InChIKeyOEBOBOUKAQLPNH-UHFFFAOYSA-N
XLogP0.82
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-6H-imidazo[4,5-d]pyridazin-7-one
CID 10037092
2-methyl-9-(6-methyloxan-2-yl)-1H-purin-6-one
CID 170975337
2-methyl-N-[9-[(2R,5R)-5-methyloxolan-2-yl]-6-oxo-1H-purin-2-yl]propanamide
CID 136601125
5-iodo-1-(5-methyloxolan-2-yl)pyrimidine-2,4-dione
CID 68663052
9-(6-methyloxan-2-yl)purin-6-amine
CID 91511498
1-(5-methyloxolan-2-yl)-4-sulfanylidenepyrimidin-2-one
CID 153342147
9-[(2S)-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
CID 137132957
3-[(2R,3R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyoxolan-2-yl]-6H-imidazo[4,5-d]pyridazin-7-one
CID 140856538
[(2S,5R)-5-(4-methylimidazo[4,5-c]pyridin-1-yl)oxolan-2-yl]methanol
CID 67781518
9-[(2R,5S)-5-(methoxymethyl)oxolan-2-yl]-1H-purin-6-one
CID 136592210
N-cyclohexyl-N-methyl-9-(5-methyloxolan-2-yl)-2-methylsulfanylpurin-6-amine
CID 142808637
4-aminooxy-1-(5-methyloxolan-2-yl)pyrimidin-2-one
CID 170014967

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyloxolan-2-yl)-6H-imidazo[4,5-d]pyridazin-7-one?
The IUPAC name of 3-(5-methyloxolan-2-yl)-6H-imidazo[4,5-d]pyridazin-7-one (CID 134398103) is 3-(5-methyloxolan-2-yl)-6H-imidazo[4,5-d]pyridazin-7-one.
What is the SMILES notation for 3-(5-methyloxolan-2-yl)-6H-imidazo[4,5-d]pyridazin-7-one?
The canonical SMILES for 3-(5-methyloxolan-2-yl)-6H-imidazo[4,5-d]pyridazin-7-one is CC1CCC(n2cnc3c(=O)[nH]ncc32)O1.
What is the InChIKey of 3-(5-methyloxolan-2-yl)-6H-imidazo[4,5-d]pyridazin-7-one?
The InChIKey is OEBOBOUKAQLPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c1-6-2-3-8(16-6)14-5-11-9-7(14)4-12-13-10(9)15/h4-6,8H,2-3H2,1H3,(H,13,15).
What are the key properties of 3-(5-methyloxolan-2-yl)-6H-imidazo[4,5-d]pyridazin-7-one?
3-(5-methyloxolan-2-yl)-6H-imidazo[4,5-d]pyridazin-7-one has a molecular weight of 220.23 g/mol, XLogP of 0.82, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyloxolan-2-yl)-6H-imidazo[4,5-d]pyridazin-7-one is sourced from PubChem (CID 134398103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).