5-chloro-2-(oxolan-3-yl)pyridazin-3-one;ethane

C10H15ClN2O2 — CID 178006943

IUPAC5-chloro-2-(oxolan-3-yl)pyridazin-3-one;ethane
SMILESCC.O=c1cc(Cl)cnn1C1CCOC1
InChIInChI=1S/C8H9ClN2O2.C2H6/c9-6-3-8(12)11(10-4-6)7-1-2-13-5-7;1-2/h3-4,7H,1-2,5H2;1-2H3
InChIKeyBIZFGPHBMUSZEH-UHFFFAOYSA-N
MW230.69 g/mol
LogP1.88
Rot. Bonds1

About 5-chloro-2-(oxolan-3-yl)pyridazin-3-one;ethane

5-chloro-2-(oxolan-3-yl)pyridazin-3-one;ethane (PubChem CID 178006943) has the molecular formula C10H15ClN2O2 and a molecular weight of 230.69 g/mol. Its IUPAC name is 5-chloro-2-(oxolan-3-yl)pyridazin-3-one;ethane.

Molecular Properties

Compound Name5-chloro-2-(oxolan-3-yl)pyridazin-3-one;ethane
PubChem CID178006943
Molecular FormulaC10H15ClN2O2
Molecular Weight230.69 g/mol
Exact Mass230.08
IUPAC Name5-chloro-2-(oxolan-3-yl)pyridazin-3-one;ethane
SMILESCC.O=c1cc(Cl)cnn1C1CCOC1
InChIInChI=1S/C8H9ClN2O2.C2H6/c9-6-3-8(12)11(10-4-6)7-1-2-13-5-7;1-2/h3-4,7H,1-2,5H2;1-2H3
InChIKeyBIZFGPHBMUSZEH-UHFFFAOYSA-N
XLogP1.88
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.69
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-(2-methoxyethyl)pyridazin-3(2H)-one
CID 66866737
5-Chloro-2-(oxolan-3-yl)pyridazin-3-one
CID 177774600
5-Chloro-2-(oxan-4-yl)pyridazin-3-one
CID 177774691
5-Chloro-2-(oxan-4-yl)pyridazin-3-one;ethane
CID 178006796
5-Iodo-2-(oxolan-3-yl)pyridazin-3-one
CID 114553567
2-(Oxolan-3-yl)-2,3-dihydropyridazin-3-one
CID 126857277
4,5-Dichloro-2-(oxolan-3-yl)pyridazin-3-one
CID 128229550
5-Methyl-2-(oxolan-3-yl)pyridazin-3-one
CID 130671571

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(oxolan-3-yl)pyridazin-3-one;ethane?
The IUPAC name of 5-chloro-2-(oxolan-3-yl)pyridazin-3-one;ethane (CID 178006943) is 5-chloro-2-(oxolan-3-yl)pyridazin-3-one;ethane.
What is the SMILES notation for 5-chloro-2-(oxolan-3-yl)pyridazin-3-one;ethane?
The canonical SMILES for 5-chloro-2-(oxolan-3-yl)pyridazin-3-one;ethane is CC.O=c1cc(Cl)cnn1C1CCOC1.
What is the InChIKey of 5-chloro-2-(oxolan-3-yl)pyridazin-3-one;ethane?
The InChIKey is BIZFGPHBMUSZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O2.C2H6/c9-6-3-8(12)11(10-4-6)7-1-2-13-5-7;1-2/h3-4,7H,1-2,5H2;1-2H3.
What are the key properties of 5-chloro-2-(oxolan-3-yl)pyridazin-3-one;ethane?
5-chloro-2-(oxolan-3-yl)pyridazin-3-one;ethane has a molecular weight of 230.69 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(oxolan-3-yl)pyridazin-3-one;ethane is sourced from PubChem (CID 178006943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).