5-chloro-4-methyl-2-(2-methylbutan-2-yl)pyridazin-3-one

C10H15ClN2O — CID 163963545

IUPAC5-chloro-4-methyl-2-(2-methylbutan-2-yl)pyridazin-3-one
SMILESCCC(C)(C)n1ncc(Cl)c(C)c1=O
InChIInChI=1S/C10H15ClN2O/c1-5-10(3,4)13-9(14)7(2)8(11)6-12-13/h6H,5H2,1-4H3
InChIKeySJQAPRPYDBHPRM-UHFFFAOYSA-N
MW214.70 g/mol
LogP2.35
Rot. Bonds2

About 5-chloro-4-methyl-2-(2-methylbutan-2-yl)pyridazin-3-one

5-chloro-4-methyl-2-(2-methylbutan-2-yl)pyridazin-3-one (PubChem CID 163963545) has the molecular formula C10H15ClN2O and a molecular weight of 214.70 g/mol. Its IUPAC name is 5-chloro-4-methyl-2-(2-methylbutan-2-yl)pyridazin-3-one.

Molecular Properties

Compound Name5-chloro-4-methyl-2-(2-methylbutan-2-yl)pyridazin-3-one
PubChem CID163963545
Molecular FormulaC10H15ClN2O
Molecular Weight214.70 g/mol
Exact Mass214.09
IUPAC Name5-chloro-4-methyl-2-(2-methylbutan-2-yl)pyridazin-3-one
SMILESCCC(C)(C)n1ncc(Cl)c(C)c1=O
InChIInChI=1S/C10H15ClN2O/c1-5-10(3,4)13-9(14)7(2)8(11)6-12-13/h6H,5H2,1-4H3
InChIKeySJQAPRPYDBHPRM-UHFFFAOYSA-N
XLogP2.35
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.70
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Tert-butyl-4,5-dichloro-2,3-dihydropyridazin-3-one
CID 2782225
2-tert-butyl-5-chloro-4-difluoromethylpyridazin-3-(2H)-one
CID 19081385
2-Tert-butyl-4-chloro-5-fluoropyridazin-3-one
CID 141166441
2-tert-butyl-5-chloro-4-methylpyridazin-3-(2H)-one
CID 13822264
2-t-butyl-5-mercapto-4-methyl-3(2H)-pyridazinone
CID 13822265
2-t-butyl-5-chloro-4-ethyl-3(2H)-pyridazinone
CID 13825010
5-chloro-2-ethyl-4-methyl-3(2H)-pyridazinone
CID 13825165
4-methyl-5-chloro-2-i-propyl-3(2H)pyridazinone
CID 13853845
2-tert-butyl-5-chloro-4-dibromomethylpyridazin-3-(2H)-one
CID 19081403
2-tert-butyl-4-bromomethyl-5-chloro 3(2H)-pyridazinone
CID 19081406
2-tert-butyl-5-chloro-4-cyanopyridazin-3-(2H)-one
CID 19081414
2-tert-butyl-5-chloro-4-formylpyridazin-3-(2H)-one
CID 19081417

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-methyl-2-(2-methylbutan-2-yl)pyridazin-3-one?
The IUPAC name of 5-chloro-4-methyl-2-(2-methylbutan-2-yl)pyridazin-3-one (CID 163963545) is 5-chloro-4-methyl-2-(2-methylbutan-2-yl)pyridazin-3-one.
What is the SMILES notation for 5-chloro-4-methyl-2-(2-methylbutan-2-yl)pyridazin-3-one?
The canonical SMILES for 5-chloro-4-methyl-2-(2-methylbutan-2-yl)pyridazin-3-one is CCC(C)(C)n1ncc(Cl)c(C)c1=O.
What is the InChIKey of 5-chloro-4-methyl-2-(2-methylbutan-2-yl)pyridazin-3-one?
The InChIKey is SJQAPRPYDBHPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O/c1-5-10(3,4)13-9(14)7(2)8(11)6-12-13/h6H,5H2,1-4H3.
What are the key properties of 5-chloro-4-methyl-2-(2-methylbutan-2-yl)pyridazin-3-one?
5-chloro-4-methyl-2-(2-methylbutan-2-yl)pyridazin-3-one has a molecular weight of 214.70 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-methyl-2-(2-methylbutan-2-yl)pyridazin-3-one is sourced from PubChem (CID 163963545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).