4-chloro-5-methoxy-2-propan-2-ylpyridazin-3-one

C8H11ClN2O2 — CID 10845807

IUPAC4-chloro-5-methoxy-2-propan-2-ylpyridazin-3-one
SMILESCOc1cnn(C(C)C)c(=O)c1Cl
InChIInChI=1S/C8H11ClN2O2/c1-5(2)11-8(12)7(9)6(13-3)4-10-11/h4-5H,1-3H3
InChIKeySOGFBXJVLUCVAY-UHFFFAOYSA-N
MW202.64 g/mol
LogP1.49
Rot. Bonds2

About 4-chloro-5-methoxy-2-propan-2-ylpyridazin-3-one

4-chloro-5-methoxy-2-propan-2-ylpyridazin-3-one (PubChem CID 10845807) has the molecular formula C8H11ClN2O2 and a molecular weight of 202.64 g/mol. Its IUPAC name is 4-chloro-5-methoxy-2-propan-2-ylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-methoxy-2-propan-2-ylpyridazin-3-one
PubChem CID10845807
Molecular FormulaC8H11ClN2O2
Molecular Weight202.64 g/mol
Exact Mass202.05
IUPAC Name4-chloro-5-methoxy-2-propan-2-ylpyridazin-3-one
SMILESCOc1cnn(C(C)C)c(=O)c1Cl
InChIInChI=1S/C8H11ClN2O2/c1-5(2)11-8(12)7(9)6(13-3)4-10-11/h4-5H,1-3H3
InChIKeySOGFBXJVLUCVAY-UHFFFAOYSA-N
XLogP1.49
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.64
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-Chloro-5-methoxy-2-methyl-2,3-dihydropyridazin-3-one
CID 2774938
2-allyl-4-chloro-5-methoxy-3(2H)-pyridazinone
CID 2223577
3(2H)-Pyridazinone, 4-chloro-2-(1,1-dimethylethyl)-5-methoxy-
CID 796350
Pyridazinone, 2-41
CID 44246303
4-chloro-5-methoxy-2-propyl-3(2H)-pyridazinone
CID 2223565
2-Butyl-4-chloro-5-hydroxypyridazin-3(2H)-one
CID 54683701
4-chloro-2-cyclohexyl-5-methoxy-3(2H)-pyridazinone
CID 1074954
4-chloro-5-ethoxy-2-methyl-2H-pyridazin-3-one
CID 1488767
4-Chloro-5-methoxy-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 131843349
4-chloro-5-methoxy-2-methoxymethyl-2H-pyridazin-3-one
CID 10584352
4-Chloro-2-[3-[ethyl(2,2,2-trifluoroethyl)amino]propyl]-5-methoxypyridazin-3-one
CID 154783239
5-Chloro-1-[2-[diisopropylamino]ethyl]-4-methoxy-6[1H]-pyridazinone
CID 575248

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-methoxy-2-propan-2-ylpyridazin-3-one?
The IUPAC name of 4-chloro-5-methoxy-2-propan-2-ylpyridazin-3-one (CID 10845807) is 4-chloro-5-methoxy-2-propan-2-ylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-methoxy-2-propan-2-ylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-methoxy-2-propan-2-ylpyridazin-3-one is COc1cnn(C(C)C)c(=O)c1Cl.
What is the InChIKey of 4-chloro-5-methoxy-2-propan-2-ylpyridazin-3-one?
The InChIKey is SOGFBXJVLUCVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O2/c1-5(2)11-8(12)7(9)6(13-3)4-10-11/h4-5H,1-3H3.
What are the key properties of 4-chloro-5-methoxy-2-propan-2-ylpyridazin-3-one?
4-chloro-5-methoxy-2-propan-2-ylpyridazin-3-one has a molecular weight of 202.64 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-methoxy-2-propan-2-ylpyridazin-3-one is sourced from PubChem (CID 10845807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).