4-chloro-5-methoxy-2-[(3S)-oxan-3-yl]pyridazin-3-one

C10H13ClN2O3 — CID 86335249

IUPAC4-chloro-5-methoxy-2-[(3S)-oxan-3-yl]pyridazin-3-one
SMILESCOc1cnn([C@H]2CCCOC2)c(=O)c1Cl
InChIInChI=1S/C10H13ClN2O3/c1-15-8-5-12-13(10(14)9(8)11)7-3-2-4-16-6-7/h5,7H,2-4,6H2,1H3/t7-/m0/s1
InChIKeyRSIGJIFJRZTISC-ZETCQYMHSA-N
MW244.68 g/mol
LogP1.26
Rot. Bonds2

About 4-chloro-5-methoxy-2-[(3S)-oxan-3-yl]pyridazin-3-one

4-chloro-5-methoxy-2-[(3S)-oxan-3-yl]pyridazin-3-one (PubChem CID 86335249) has the molecular formula C10H13ClN2O3 and a molecular weight of 244.68 g/mol. Its IUPAC name is 4-chloro-5-methoxy-2-[(3S)-oxan-3-yl]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-methoxy-2-[(3S)-oxan-3-yl]pyridazin-3-one
PubChem CID86335249
Molecular FormulaC10H13ClN2O3
Molecular Weight244.68 g/mol
Exact Mass244.06
IUPAC Name4-chloro-5-methoxy-2-[(3S)-oxan-3-yl]pyridazin-3-one
SMILESCOc1cnn([C@H]2CCCOC2)c(=O)c1Cl
InChIInChI=1S/C10H13ClN2O3/c1-15-8-5-12-13(10(14)9(8)11)7-3-2-4-16-6-7/h5,7H,2-4,6H2,1H3/t7-/m0/s1
InChIKeyRSIGJIFJRZTISC-ZETCQYMHSA-N
XLogP1.26
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.68
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-5-methoxy-2-(oxan-2-yl)pyridazin-3-one
CID 10610335
5-methoxy-2-[(3R)-oxan-3-yl]pyridazin-3-one
CID 86335303
5-chloro-4-cyclohexyloxy-1-(oxan-3-yl)pyrazole
CID 117232039
4-chloro-5-methoxy-2-(oxan-4-ylmethyl)pyridazin-3-one
CID 154785256
8-methoxy-3-(oxan-3-yl)-5H-pyridazino[4,5-b]indol-4-one
CID 167758594
5-chloro-1-(oxan-3-yl)pyrazol-4-ol
CID 117232043
4-bromo-2-cyclohexyl-5-methoxypyridazin-3-one
CID 102534188
4-chloro-5-[[(1R)-1-[(3S)-oxan-3-yl]ethyl]amino]-2-piperidin-4-ylpyridazin-3-one
CID 168964362
5-[4-[5-chloro-4-(oxan-3-ylmethylamino)-6-oxopyridazin-1-yl]piperidin-1-yl]sulfanyl-2-methoxybenzonitrile
CID 168963550
4,5-dichloro-2-cyclooctylpyridazin-3-one;methane
CID 173110964
7-bromo-5-[(2,4-dimethoxyphenyl)methyl]-1-(oxan-3-yl)pyrazolo[4,5-c]quinolin-4-one
CID 89495074
4-chloro-2-cyclohexyl-5-sulfanylpyridazin-3-one
CID 22358118

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-methoxy-2-[(3S)-oxan-3-yl]pyridazin-3-one?
The IUPAC name of 4-chloro-5-methoxy-2-[(3S)-oxan-3-yl]pyridazin-3-one (CID 86335249) is 4-chloro-5-methoxy-2-[(3S)-oxan-3-yl]pyridazin-3-one.
What is the SMILES notation for 4-chloro-5-methoxy-2-[(3S)-oxan-3-yl]pyridazin-3-one?
The canonical SMILES for 4-chloro-5-methoxy-2-[(3S)-oxan-3-yl]pyridazin-3-one is COc1cnn([C@H]2CCCOC2)c(=O)c1Cl.
What is the InChIKey of 4-chloro-5-methoxy-2-[(3S)-oxan-3-yl]pyridazin-3-one?
The InChIKey is RSIGJIFJRZTISC-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H13ClN2O3/c1-15-8-5-12-13(10(14)9(8)11)7-3-2-4-16-6-7/h5,7H,2-4,6H2,1H3/t7-/m0/s1.
What are the key properties of 4-chloro-5-methoxy-2-[(3S)-oxan-3-yl]pyridazin-3-one?
4-chloro-5-methoxy-2-[(3S)-oxan-3-yl]pyridazin-3-one has a molecular weight of 244.68 g/mol, XLogP of 1.26, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-methoxy-2-[(3S)-oxan-3-yl]pyridazin-3-one is sourced from PubChem (CID 86335249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).