4-bromo-5-methyl-2-(oxan-2-yl)pyridazin-3-one;ethane

C12H19BrN2O2 — CID 143487583

IUPAC4-bromo-5-methyl-2-(oxan-2-yl)pyridazin-3-one;ethane
SMILESCC.Cc1cnn(C2CCCCO2)c(=O)c1Br
InChIInChI=1S/C10H13BrN2O2.C2H6/c1-7-6-12-13(10(14)9(7)11)8-4-2-3-5-15-8;1-2/h6,8H,2-5H2,1H3;1-2H3
InChIKeyGWIRDRKALNIRFJ-UHFFFAOYSA-N
MW303.20 g/mol
LogP3.04
Rot. Bonds1

About 4-bromo-5-methyl-2-(oxan-2-yl)pyridazin-3-one;ethane

4-bromo-5-methyl-2-(oxan-2-yl)pyridazin-3-one;ethane (PubChem CID 143487583) has the molecular formula C12H19BrN2O2 and a molecular weight of 303.20 g/mol. Its IUPAC name is 4-bromo-5-methyl-2-(oxan-2-yl)pyridazin-3-one;ethane.

Molecular Properties

Compound Name4-bromo-5-methyl-2-(oxan-2-yl)pyridazin-3-one;ethane
PubChem CID143487583
Molecular FormulaC12H19BrN2O2
Molecular Weight303.20 g/mol
Exact Mass302.06
IUPAC Name4-bromo-5-methyl-2-(oxan-2-yl)pyridazin-3-one;ethane
SMILESCC.Cc1cnn(C2CCCCO2)c(=O)c1Br
InChIInChI=1S/C10H13BrN2O2.C2H6/c1-7-6-12-13(10(14)9(7)11)8-4-2-3-5-15-8;1-2/h6,8H,2-5H2,1H3;1-2H3
InChIKeyGWIRDRKALNIRFJ-UHFFFAOYSA-N
XLogP3.04
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.20
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-5-methyl-1-(oxan-2-yl)indazole
CID 71307646
4,5-dichloro-2-[(2R)-oxan-2-yl]pyridazin-3-one
CID 97110887
4-chloro-5-hydroxy-2-(oxan-2-yl)pyridazin-3-one
CID 54704159
4-chloro-5-methoxy-2-(oxan-2-yl)pyridazin-3-one
CID 10610335
4-bromo-5-ethoxy-6-methyl-1-(oxan-2-yl)indazole;methanol
CID 171613304
4-bromo-5-methyl-1-(oxan-2-yl)-6-(trifluoromethyl)indazole
CID 178018729
4-bromo-7-fluoro-6-methyl-1-(oxan-2-yl)-5-(trifluoromethyl)indazole
CID 172594891
7-bromo-1-(oxan-2-yl)pyrazolo[4,3-b]pyridine
CID 121228983
2-[(1R,2R)-2-[4-bromo-6-methyl-1-(oxan-2-yl)indazol-5-yl]cyclopropyl]ethanol
CID 171613608
2-[4-bromo-6-methyl-1-(oxan-2-yl)indazol-5-yl]acetaldehyde;1,4-dioxane
CID 171613555
ethane;4-methyl-2-(oxan-2-yl)-5-[2-[4-(trifluoromethyl)phenyl]ethynyl]pyridazin-3-one
CID 143126998
5-methyl-1-(oxan-2-yl)indazol-6-ol
CID 137284218

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-methyl-2-(oxan-2-yl)pyridazin-3-one;ethane?
The IUPAC name of 4-bromo-5-methyl-2-(oxan-2-yl)pyridazin-3-one;ethane (CID 143487583) is 4-bromo-5-methyl-2-(oxan-2-yl)pyridazin-3-one;ethane.
What is the SMILES notation for 4-bromo-5-methyl-2-(oxan-2-yl)pyridazin-3-one;ethane?
The canonical SMILES for 4-bromo-5-methyl-2-(oxan-2-yl)pyridazin-3-one;ethane is CC.Cc1cnn(C2CCCCO2)c(=O)c1Br.
What is the InChIKey of 4-bromo-5-methyl-2-(oxan-2-yl)pyridazin-3-one;ethane?
The InChIKey is GWIRDRKALNIRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O2.C2H6/c1-7-6-12-13(10(14)9(7)11)8-4-2-3-5-15-8;1-2/h6,8H,2-5H2,1H3;1-2H3.
What are the key properties of 4-bromo-5-methyl-2-(oxan-2-yl)pyridazin-3-one;ethane?
4-bromo-5-methyl-2-(oxan-2-yl)pyridazin-3-one;ethane has a molecular weight of 303.20 g/mol, XLogP of 3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-methyl-2-(oxan-2-yl)pyridazin-3-one;ethane is sourced from PubChem (CID 143487583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).