5-chloro-2-methylpyridazin-3-one;4,5-dichloro-2-methylpyridazin-3-one

C10H9Cl3N4O2 — CID 160871949

IUPAC5-chloro-2-methylpyridazin-3-one;4,5-dichloro-2-methylpyridazin-3-one
SMILESCn1ncc(Cl)c(Cl)c1=O.Cn1ncc(Cl)cc1=O
InChIInChI=1S/C5H4Cl2N2O.C5H5ClN2O/c1-9-5(10)4(7)3(6)2-8-9;1-8-5(9)2-4(6)3-7-8/h2H,1H3;2-3H,1H3
InChIKeySLWIRGSWQFMWEO-UHFFFAOYSA-N
MW323.57 g/mol
LogP1.52
Rot. Bonds

About 5-chloro-2-methylpyridazin-3-one;4,5-dichloro-2-methylpyridazin-3-one

5-chloro-2-methylpyridazin-3-one;4,5-dichloro-2-methylpyridazin-3-one (PubChem CID 160871949) has the molecular formula C10H9Cl3N4O2 and a molecular weight of 323.57 g/mol. Its IUPAC name is 5-chloro-2-methylpyridazin-3-one;4,5-dichloro-2-methylpyridazin-3-one.

Molecular Properties

Compound Name5-chloro-2-methylpyridazin-3-one;4,5-dichloro-2-methylpyridazin-3-one
PubChem CID160871949
Molecular FormulaC10H9Cl3N4O2
Molecular Weight323.57 g/mol
Exact Mass321.98
IUPAC Name5-chloro-2-methylpyridazin-3-one;4,5-dichloro-2-methylpyridazin-3-one
SMILESCn1ncc(Cl)c(Cl)c1=O.Cn1ncc(Cl)cc1=O
InChIInChI=1S/C5H4Cl2N2O.C5H5ClN2O/c1-9-5(10)4(7)3(6)2-8-9;1-8-5(9)2-4(6)3-7-8/h2H,1H3;2-3H,1H3
InChIKeySLWIRGSWQFMWEO-UHFFFAOYSA-N
XLogP1.52
TPSA69.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.57
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3(2H)-Pyridazinone, 4,5-dichloro-2-methyl-
CID 120462
5-Chloro-2-methylpyridazin-3(2H)-one
CID 12910144
4,5-dichloro-2-(2-methyl-2-propenyl)-3(2H)-pyridazinone
CID 23039515
4,5-Dichloro-2-methylpyridazin-3-one;hydrochloride
CID 121472658
4,5-Dichloro-2-(2-methylprop-1-enyl)pyridazin-3-one
CID 139696792
2-Methyl-4,5-dichloro-3-pyridazinone-d3
CID 169148338
4,5-Dichloro-2-[4-(4,5-dichloro-6-oxopyridazin-1-yl)butyl]pyridazin-3-one
CID 10620012
4,5-Dichloro-2-[3-(4,5-dichloro-6-oxopyridazin-1-yl)propyl]pyridazin-3-one
CID 10809144
2-[(E)-but-2-enyl]-4,5-dichloropyridazin-3-one
CID 114386487
4,5-Dichloro-2-(3-methylbut-2-enyl)pyridazin-3-one
CID 115571194
5-chloro-2-(methyl-d3)pyridazin-3(2H)-one-4,6-d2
CID 172407273
5-chloro-2-(methyl-d3)pyridazin-3(2H)-one
CID 176469465

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methylpyridazin-3-one;4,5-dichloro-2-methylpyridazin-3-one?
The IUPAC name of 5-chloro-2-methylpyridazin-3-one;4,5-dichloro-2-methylpyridazin-3-one (CID 160871949) is 5-chloro-2-methylpyridazin-3-one;4,5-dichloro-2-methylpyridazin-3-one.
What is the SMILES notation for 5-chloro-2-methylpyridazin-3-one;4,5-dichloro-2-methylpyridazin-3-one?
The canonical SMILES for 5-chloro-2-methylpyridazin-3-one;4,5-dichloro-2-methylpyridazin-3-one is Cn1ncc(Cl)c(Cl)c1=O.Cn1ncc(Cl)cc1=O.
What is the InChIKey of 5-chloro-2-methylpyridazin-3-one;4,5-dichloro-2-methylpyridazin-3-one?
The InChIKey is SLWIRGSWQFMWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4Cl2N2O.C5H5ClN2O/c1-9-5(10)4(7)3(6)2-8-9;1-8-5(9)2-4(6)3-7-8/h2H,1H3;2-3H,1H3.
What are the key properties of 5-chloro-2-methylpyridazin-3-one;4,5-dichloro-2-methylpyridazin-3-one?
5-chloro-2-methylpyridazin-3-one;4,5-dichloro-2-methylpyridazin-3-one has a molecular weight of 323.57 g/mol, XLogP of 1.52, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methylpyridazin-3-one;4,5-dichloro-2-methylpyridazin-3-one is sourced from PubChem (CID 160871949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).