2-butyl-4-chloro-5-methoxypyridazin-3-one

C9H13ClN2O2 — CID 12758396

IUPAC2-butyl-4-chloro-5-methoxypyridazin-3-one
SMILESCCCCn1ncc(OC)c(Cl)c1=O
InChIInChI=1S/C9H13ClN2O2/c1-3-4-5-12-9(13)8(10)7(14-2)6-11-12/h6H,3-5H2,1-2H3
InChIKeySHPDGXKOKNATQL-UHFFFAOYSA-N
MW216.67 g/mol
LogP1.71
Rot. Bonds4

About 2-butyl-4-chloro-5-methoxypyridazin-3-one

2-butyl-4-chloro-5-methoxypyridazin-3-one (PubChem CID 12758396) has the molecular formula C9H13ClN2O2 and a molecular weight of 216.67 g/mol. Its IUPAC name is 2-butyl-4-chloro-5-methoxypyridazin-3-one.

Molecular Properties

Compound Name2-butyl-4-chloro-5-methoxypyridazin-3-one
PubChem CID12758396
Molecular FormulaC9H13ClN2O2
Molecular Weight216.67 g/mol
Exact Mass216.07
IUPAC Name2-butyl-4-chloro-5-methoxypyridazin-3-one
SMILESCCCCn1ncc(OC)c(Cl)c1=O
InChIInChI=1S/C9H13ClN2O2/c1-3-4-5-12-9(13)8(10)7(14-2)6-11-12/h6H,3-5H2,1-2H3
InChIKeySHPDGXKOKNATQL-UHFFFAOYSA-N
XLogP1.71
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.67
LogP ≤ 51.71
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
4,5-Dichloro-2-(3-oxobutyl)-3(2H)-pyridazinone
CID 365844
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

Frequently Asked Questions

What is the IUPAC name of 2-butyl-4-chloro-5-methoxypyridazin-3-one?
The IUPAC name of 2-butyl-4-chloro-5-methoxypyridazin-3-one (CID 12758396) is 2-butyl-4-chloro-5-methoxypyridazin-3-one.
What is the SMILES notation for 2-butyl-4-chloro-5-methoxypyridazin-3-one?
The canonical SMILES for 2-butyl-4-chloro-5-methoxypyridazin-3-one is CCCCn1ncc(OC)c(Cl)c1=O.
What is the InChIKey of 2-butyl-4-chloro-5-methoxypyridazin-3-one?
The InChIKey is SHPDGXKOKNATQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O2/c1-3-4-5-12-9(13)8(10)7(14-2)6-11-12/h6H,3-5H2,1-2H3.
What are the key properties of 2-butyl-4-chloro-5-methoxypyridazin-3-one?
2-butyl-4-chloro-5-methoxypyridazin-3-one has a molecular weight of 216.67 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4-chloro-5-methoxypyridazin-3-one is sourced from PubChem (CID 12758396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).