methyl 1-(oxetan-3-yl)-6-oxopyridazine-3-carboxylate

C9H10N2O4 — CID 139512246

IUPACmethyl 1-(oxetan-3-yl)-6-oxopyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(=O)n(C2COC2)n1
InChIInChI=1S/C9H10N2O4/c1-14-9(13)7-2-3-8(12)11(10-7)6-4-15-5-6/h2-3,6H,4-5H2,1H3
InChIKeyFSIBXPWXGHPDEO-UHFFFAOYSA-N
MW210.19 g/mol
LogP-0.40
Rot. Bonds2

About methyl 1-(oxetan-3-yl)-6-oxopyridazine-3-carboxylate

methyl 1-(oxetan-3-yl)-6-oxopyridazine-3-carboxylate (PubChem CID 139512246) has the molecular formula C9H10N2O4 and a molecular weight of 210.19 g/mol. Its IUPAC name is methyl 1-(oxetan-3-yl)-6-oxopyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(oxetan-3-yl)-6-oxopyridazine-3-carboxylate
PubChem CID139512246
Molecular FormulaC9H10N2O4
Molecular Weight210.19 g/mol
Exact Mass210.06
IUPAC Namemethyl 1-(oxetan-3-yl)-6-oxopyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(=O)n(C2COC2)n1
InChIInChI=1S/C9H10N2O4/c1-14-9(13)7-2-3-8(12)11(10-7)6-4-15-5-6/h2-3,6H,4-5H2,1H3
InChIKeyFSIBXPWXGHPDEO-UHFFFAOYSA-N
XLogP-0.40
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 5-0.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(oxan-4-yl)-6-oxopyridazine-3-carboxylic acid
CID 114695894
methyl 5-bromo-3-(oxetan-3-yl)imidazole-4-carboxylate
CID 172593289
methyl 6-[[(1S,5R)-9-methyl-10-oxo-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]methyl]pyridine-2-carboxylate
CID 155912463
methyl pyrazolo[1,5-b]pyridazine-6-carboxylate
CID 155892504
methyl 1-methyl-6-oxopyrimidine-4-carboxylate
CID 141087181
methyl 1-[(1R,2R,5S)-4-oxo-6,8-dioxabicyclo[3.2.1]octan-2-yl]pyrazole-3-carboxylate
CID 11878585
methyl 2-(4-methylpiperazin-1-yl)-6-(oxetan-3-ylamino)pyrimidine-4-carboxylate
CID 162458558
methyl 4-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decane-7-carbonyl]benzoate
CID 155498685
methyl 6-morpholin-4-ylpyridazine-3-carboxylate
CID 121206139
1,5-dimethyl-N-[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]pyrazole-3-carboxamide
CID 126934624
methyl 1-(1,1-dioxothiolan-3-yl)-5-(furan-2-yl)pyrazole-3-carboxylate
CID 90480578
methyl 1-(6-oxaspiro[4.5]decan-9-yl)-5-thiophen-2-ylpyrazole-3-carboxylate
CID 166249488

Frequently Asked Questions

What is the IUPAC name of methyl 1-(oxetan-3-yl)-6-oxopyridazine-3-carboxylate?
The IUPAC name of methyl 1-(oxetan-3-yl)-6-oxopyridazine-3-carboxylate (CID 139512246) is methyl 1-(oxetan-3-yl)-6-oxopyridazine-3-carboxylate.
What is the SMILES notation for methyl 1-(oxetan-3-yl)-6-oxopyridazine-3-carboxylate?
The canonical SMILES for methyl 1-(oxetan-3-yl)-6-oxopyridazine-3-carboxylate is COC(=O)c1ccc(=O)n(C2COC2)n1.
What is the InChIKey of methyl 1-(oxetan-3-yl)-6-oxopyridazine-3-carboxylate?
The InChIKey is FSIBXPWXGHPDEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O4/c1-14-9(13)7-2-3-8(12)11(10-7)6-4-15-5-6/h2-3,6H,4-5H2,1H3.
What are the key properties of methyl 1-(oxetan-3-yl)-6-oxopyridazine-3-carboxylate?
methyl 1-(oxetan-3-yl)-6-oxopyridazine-3-carboxylate has a molecular weight of 210.19 g/mol, XLogP of -0.40, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(oxetan-3-yl)-6-oxopyridazine-3-carboxylate is sourced from PubChem (CID 139512246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).