4,5-dichloro-2-cyclohexylpyridazin-3-one;ethane

C12H18Cl2N2O — CID 144572037

IUPAC4,5-dichloro-2-cyclohexylpyridazin-3-one;ethane
SMILESCC.O=c1c(Cl)c(Cl)cnn1C1CCCCC1
InChIInChI=1S/C10H12Cl2N2O.C2H6/c11-8-6-13-14(10(15)9(8)12)7-4-2-1-3-5-7;1-2/h6-7H,1-5H2;1-2H3
InChIKeyGZHAFAWIRARFLO-UHFFFAOYSA-N
MW277.19 g/mol
LogP4.08
Rot. Bonds1

About 4,5-dichloro-2-cyclohexylpyridazin-3-one;ethane

4,5-dichloro-2-cyclohexylpyridazin-3-one;ethane (PubChem CID 144572037) has the molecular formula C12H18Cl2N2O and a molecular weight of 277.19 g/mol. Its IUPAC name is 4,5-dichloro-2-cyclohexylpyridazin-3-one;ethane.

Molecular Properties

Compound Name4,5-dichloro-2-cyclohexylpyridazin-3-one;ethane
PubChem CID144572037
Molecular FormulaC12H18Cl2N2O
Molecular Weight277.19 g/mol
Exact Mass276.08
IUPAC Name4,5-dichloro-2-cyclohexylpyridazin-3-one;ethane
SMILESCC.O=c1c(Cl)c(Cl)cnn1C1CCCCC1
InChIInChI=1S/C10H12Cl2N2O.C2H6/c11-8-6-13-14(10(15)9(8)12)7-4-2-1-3-5-7;1-2/h6-7H,1-5H2;1-2H3
InChIKeyGZHAFAWIRARFLO-UHFFFAOYSA-N
XLogP4.08
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.19
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-dichloro-2-cyclohexylpyridazin-3(2H)-one
CID 12351836
4,5-Dichloro-2-(3,3,5,5-tetramethylcyclohexyl)pyridazin-3-one
CID 53353682
Pyridazinone, 2-41
CID 44246303
4-chloro-2-cyclohexyl-5-(methylamino)-3(2H)-pyridazinone
CID 779089
5-amino-4-chloro-2-cyclohexyl-3(2H)-pyridazinone
CID 6456195
4-Chloro-2-cyclohexyl-5-(propylamino)pyridazin-3-one
CID 117094757
4-chloro-2-cyclohexyl-5-(ethylthio)-3(2H)-pyridazinone
CID 779506
4-chloro-2-cyclohexyl-5-methoxy-3(2H)-pyridazinone
CID 1074954
4-chloro-2-cyclohexyl-5-hydroxy-3(2H)-pyridazinone
CID 54686943
4,5-Dichloro-2-isopropylpyridazin-3(2H)-one
CID 12351830
2-Butyl-4,5-dichloropyridazin-3(2H)-one
CID 12351831
4,5-Dichloro-2-cyclopentylpyridazin-3-one
CID 13881555

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-cyclohexylpyridazin-3-one;ethane?
The IUPAC name of 4,5-dichloro-2-cyclohexylpyridazin-3-one;ethane (CID 144572037) is 4,5-dichloro-2-cyclohexylpyridazin-3-one;ethane.
What is the SMILES notation for 4,5-dichloro-2-cyclohexylpyridazin-3-one;ethane?
The canonical SMILES for 4,5-dichloro-2-cyclohexylpyridazin-3-one;ethane is CC.O=c1c(Cl)c(Cl)cnn1C1CCCCC1.
What is the InChIKey of 4,5-dichloro-2-cyclohexylpyridazin-3-one;ethane?
The InChIKey is GZHAFAWIRARFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2N2O.C2H6/c11-8-6-13-14(10(15)9(8)12)7-4-2-1-3-5-7;1-2/h6-7H,1-5H2;1-2H3.
What are the key properties of 4,5-dichloro-2-cyclohexylpyridazin-3-one;ethane?
4,5-dichloro-2-cyclohexylpyridazin-3-one;ethane has a molecular weight of 277.19 g/mol, XLogP of 4.08, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-cyclohexylpyridazin-3-one;ethane is sourced from PubChem (CID 144572037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).