4,5-dichloro-2-[(3R)-oxan-3-yl]pyridazin-3-one

C9H10Cl2N2O2 — CID 86335235

IUPAC4,5-dichloro-2-[(3R)-oxan-3-yl]pyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1[C@@H]1CCCOC1
InChIInChI=1S/C9H10Cl2N2O2/c10-7-4-12-13(9(14)8(7)11)6-2-1-3-15-5-6/h4,6H,1-3,5H2/t6-/m1/s1
InChIKeyOEIQXPVDMWBQKW-ZCFIWIBFSA-N
MW249.10 g/mol
LogP1.90
Rot. Bonds1

About 4,5-dichloro-2-[(3R)-oxan-3-yl]pyridazin-3-one

4,5-dichloro-2-[(3R)-oxan-3-yl]pyridazin-3-one (PubChem CID 86335235) has the molecular formula C9H10Cl2N2O2 and a molecular weight of 249.10 g/mol. Its IUPAC name is 4,5-dichloro-2-[(3R)-oxan-3-yl]pyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-2-[(3R)-oxan-3-yl]pyridazin-3-one
PubChem CID86335235
Molecular FormulaC9H10Cl2N2O2
Molecular Weight249.10 g/mol
Exact Mass248.01
IUPAC Name4,5-dichloro-2-[(3R)-oxan-3-yl]pyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1[C@@H]1CCCOC1
InChIInChI=1S/C9H10Cl2N2O2/c10-7-4-12-13(9(14)8(7)11)6-2-1-3-15-5-6/h4,6H,1-3,5H2/t6-/m1/s1
InChIKeyOEIQXPVDMWBQKW-ZCFIWIBFSA-N
XLogP1.90
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.10
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4,5-Dichloro-2-(tetrahydro-pyran-2-yl)-2H-pyridazin-3-one
CID 10729262
4,5-dichloro-2-(tetrahydro-2H-pyran-3-yl)pyridazin-3(2H)-one
CID 71303224
4-Chloro-2-methyl-5-(oxan-3-ylamino)pyridazin-3-one
CID 115616281
[5-Chloro-1-(oxan-2-yl)-6-oxopyridazin-4-yl]chloranium
CID 163633599
5-[Amino(methyl)amino]-4-chloro-2-(oxan-3-yl)pyridazin-3-one
CID 177361815
4-chloro-5-methoxy-2-(tetrahydro-2H-pyran-3-yl)pyridazin-3(2H)-one
CID 71303345
4,5-dichloro-2-[(3S)-oxan-3-yl]pyridazin-3-one
CID 86335236
4-chloro-5-methoxy-2-[(3R)-oxan-3-yl]pyridazin-3-one
CID 86335248
4-chloro-5-methoxy-2-[(3S)-oxan-3-yl]pyridazin-3-one
CID 86335249
4,5-dichloro-2-[(2S)-oxan-2-yl]pyridazin-3-one
CID 97110886
4,5-dichloro-2-[(2R)-oxan-2-yl]pyridazin-3-one
CID 97110887
4-Chloro-2-ethyl-5-(oxan-3-ylamino)pyridazin-3-one
CID 113584743

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-[(3R)-oxan-3-yl]pyridazin-3-one?
The IUPAC name of 4,5-dichloro-2-[(3R)-oxan-3-yl]pyridazin-3-one (CID 86335235) is 4,5-dichloro-2-[(3R)-oxan-3-yl]pyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-2-[(3R)-oxan-3-yl]pyridazin-3-one?
The canonical SMILES for 4,5-dichloro-2-[(3R)-oxan-3-yl]pyridazin-3-one is O=c1c(Cl)c(Cl)cnn1[C@@H]1CCCOC1.
What is the InChIKey of 4,5-dichloro-2-[(3R)-oxan-3-yl]pyridazin-3-one?
The InChIKey is OEIQXPVDMWBQKW-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H10Cl2N2O2/c10-7-4-12-13(9(14)8(7)11)6-2-1-3-15-5-6/h4,6H,1-3,5H2/t6-/m1/s1.
What are the key properties of 4,5-dichloro-2-[(3R)-oxan-3-yl]pyridazin-3-one?
4,5-dichloro-2-[(3R)-oxan-3-yl]pyridazin-3-one has a molecular weight of 249.10 g/mol, XLogP of 1.90, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-[(3R)-oxan-3-yl]pyridazin-3-one is sourced from PubChem (CID 86335235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).