5-methoxy-2-[(3R)-oxan-3-yl]pyridazin-3-one

C10H14N2O3 — CID 86335303

IUPAC5-methoxy-2-[(3R)-oxan-3-yl]pyridazin-3-one
SMILESCOc1cnn([C@@H]2CCCOC2)c(=O)c1
InChIInChI=1S/C10H14N2O3/c1-14-9-5-10(13)12(11-6-9)8-3-2-4-15-7-8/h5-6,8H,2-4,7H2,1H3/t8-/m1/s1
InChIKeyAVVIWGDCPKRSNQ-MRVPVSSYSA-N
MW210.23 g/mol
LogP0.60
Rot. Bonds2

About 5-methoxy-2-[(3R)-oxan-3-yl]pyridazin-3-one

5-methoxy-2-[(3R)-oxan-3-yl]pyridazin-3-one (PubChem CID 86335303) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 5-methoxy-2-[(3R)-oxan-3-yl]pyridazin-3-one.

Molecular Properties

Compound Name5-methoxy-2-[(3R)-oxan-3-yl]pyridazin-3-one
PubChem CID86335303
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name5-methoxy-2-[(3R)-oxan-3-yl]pyridazin-3-one
SMILESCOc1cnn([C@@H]2CCCOC2)c(=O)c1
InChIInChI=1S/C10H14N2O3/c1-14-9-5-10(13)12(11-6-9)8-3-2-4-15-7-8/h5-6,8H,2-4,7H2,1H3/t8-/m1/s1
InChIKeyAVVIWGDCPKRSNQ-MRVPVSSYSA-N
XLogP0.60
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-5-methoxy-2-[(3S)-oxan-3-yl]pyridazin-3-one
CID 86335249
8-methoxy-3-(oxan-3-yl)-5H-pyridazino[4,5-b]indol-4-one
CID 167758594
7-bromo-5-[(2,4-dimethoxyphenyl)methyl]-1-(oxan-3-yl)pyrazolo[4,5-c]quinolin-4-one
CID 89495074
5-chloro-1-(oxan-3-yl)pyrazol-4-ol
CID 117232043
1-(oxan-3-yl)-6-propan-2-ylindazole
CID 153308080
5-chloro-4-cyclohexyloxy-1-(oxan-3-yl)pyrazole
CID 117232039
6-[4-(2,4-dimethyl-1,3-oxazol-5-yl)phenoxy]-5-methyl-1-[(3R)-oxan-3-yl]pyrazolo[5,4-d]pyrimidin-4-one
CID 138679493
1-(oxan-3-yl)-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine
CID 105460739
4-methoxy-N-(oxan-3-yl)pyridin-2-amine
CID 115922910
5-cyclopropyl-1-(oxan-3-yl)pyrazole-3-carboxylic acid
CID 175666826
4-[[2-(oxan-3-yl)pyrazol-3-yl]amino]cyclohexane-1-carboxylic acid
CID 167965174
3,5-dimethyl-1-(oxan-3-yl)pyrazol-4-amine
CID 107134649

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[(3R)-oxan-3-yl]pyridazin-3-one?
The IUPAC name of 5-methoxy-2-[(3R)-oxan-3-yl]pyridazin-3-one (CID 86335303) is 5-methoxy-2-[(3R)-oxan-3-yl]pyridazin-3-one.
What is the SMILES notation for 5-methoxy-2-[(3R)-oxan-3-yl]pyridazin-3-one?
The canonical SMILES for 5-methoxy-2-[(3R)-oxan-3-yl]pyridazin-3-one is COc1cnn([C@@H]2CCCOC2)c(=O)c1.
What is the InChIKey of 5-methoxy-2-[(3R)-oxan-3-yl]pyridazin-3-one?
The InChIKey is AVVIWGDCPKRSNQ-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-14-9-5-10(13)12(11-6-9)8-3-2-4-15-7-8/h5-6,8H,2-4,7H2,1H3/t8-/m1/s1.
What are the key properties of 5-methoxy-2-[(3R)-oxan-3-yl]pyridazin-3-one?
5-methoxy-2-[(3R)-oxan-3-yl]pyridazin-3-one has a molecular weight of 210.23 g/mol, XLogP of 0.60, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[(3R)-oxan-3-yl]pyridazin-3-one is sourced from PubChem (CID 86335303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).