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

C10H13ClN2O3 — CID 10610335

IUPAC4-chloro-5-methoxy-2-(oxan-2-yl)pyridazin-3-one
SMILESCOc1cnn(C2CCCCO2)c(=O)c1Cl
InChIInChI=1S/C10H13ClN2O3/c1-15-7-6-12-13(10(14)9(7)11)8-4-2-3-5-16-8/h6,8H,2-5H2,1H3
InChIKeyGLUSLLVUVQEDNZ-UHFFFAOYSA-N
MW244.68 g/mol
LogP1.60
Rot. Bonds2

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

4-chloro-5-methoxy-2-(oxan-2-yl)pyridazin-3-one (PubChem CID 10610335) has the molecular formula C10H13ClN2O3 and a molecular weight of 244.68 g/mol. Its IUPAC name is 4-chloro-5-methoxy-2-(oxan-2-yl)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-methoxy-2-(oxan-2-yl)pyridazin-3-one
PubChem CID10610335
Molecular FormulaC10H13ClN2O3
Molecular Weight244.68 g/mol
Exact Mass244.06
IUPAC Name4-chloro-5-methoxy-2-(oxan-2-yl)pyridazin-3-one
SMILESCOc1cnn(C2CCCCO2)c(=O)c1Cl
InChIInChI=1S/C10H13ClN2O3/c1-15-7-6-12-13(10(14)9(7)11)8-4-2-3-5-16-8/h6,8H,2-5H2,1H3
InChIKeyGLUSLLVUVQEDNZ-UHFFFAOYSA-N
XLogP1.60
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 ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4,5-dichloro-2-[(2R)-oxan-2-yl]pyridazin-3-one
CID 97110887
4-chloro-5-hydroxy-2-(oxan-2-yl)pyridazin-3-one
CID 54704159
4-chloro-5-methoxy-2-[(3S)-oxan-3-yl]pyridazin-3-one
CID 86335249
4-chloro-5-cyclopentyl-6-methoxy-2-(oxan-2-yl)pyridazin-3-one
CID 68988720
4-chloro-5-(4-hydroxypiperidin-1-yl)-2-(oxan-2-yl)pyridazin-3-one
CID 138472198
4-bromo-5-methyl-2-(oxan-2-yl)pyridazin-3-one;ethane
CID 143487583
4-chloro-5-methoxy-2-(oxan-4-ylmethyl)pyridazin-3-one
CID 154785256
5-chloro-6-methoxy-15-(oxan-2-yl)-2,18-dioxa-11,14,15-triazatetracyclo[9.8.0.03,8.012,17]nonadeca-3,5,7,12(17),13-pentaen-16-one
CID 11958293
6-bromo-4,5-dichloro-2-(oxan-2-yl)pyridazin-3-one
CID 169209858
4-methoxy-2-(oxan-2-yl)-5-[[(1R,2R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]amino]pyridazin-3-one
CID 70823477
4-bromo-2-cyclohexyl-5-methoxypyridazin-3-one
CID 102534188
6-chloro-1-(oxan-2-yl)pyrazolo[4,5-b]pyridine
CID 121228968

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-methoxy-2-(oxan-2-yl)pyridazin-3-one?
The IUPAC name of 4-chloro-5-methoxy-2-(oxan-2-yl)pyridazin-3-one (CID 10610335) is 4-chloro-5-methoxy-2-(oxan-2-yl)pyridazin-3-one.
What is the SMILES notation for 4-chloro-5-methoxy-2-(oxan-2-yl)pyridazin-3-one?
The canonical SMILES for 4-chloro-5-methoxy-2-(oxan-2-yl)pyridazin-3-one is COc1cnn(C2CCCCO2)c(=O)c1Cl.
What is the InChIKey of 4-chloro-5-methoxy-2-(oxan-2-yl)pyridazin-3-one?
The InChIKey is GLUSLLVUVQEDNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O3/c1-15-7-6-12-13(10(14)9(7)11)8-4-2-3-5-16-8/h6,8H,2-5H2,1H3.
What are the key properties of 4-chloro-5-methoxy-2-(oxan-2-yl)pyridazin-3-one?
4-chloro-5-methoxy-2-(oxan-2-yl)pyridazin-3-one has a molecular weight of 244.68 g/mol, XLogP of 1.60, 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-(oxan-2-yl)pyridazin-3-one is sourced from PubChem (CID 10610335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).