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

C11H17ClN2O2 — CID 178006796

IUPAC5-chloro-2-(oxan-4-yl)pyridazin-3-one;ethane
SMILESCC.O=c1cc(Cl)cnn1C1CCOCC1
InChIInChI=1S/C9H11ClN2O2.C2H6/c10-7-5-9(13)12(11-6-7)8-1-3-14-4-2-8;1-2/h5-6,8H,1-4H2;1-2H3
InChIKeyVFMQCMVIQMGEDX-UHFFFAOYSA-N
MW244.72 g/mol
LogP2.27
Rot. Bonds1

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

5-chloro-2-(oxan-4-yl)pyridazin-3-one;ethane (PubChem CID 178006796) has the molecular formula C11H17ClN2O2 and a molecular weight of 244.72 g/mol. Its IUPAC name is 5-chloro-2-(oxan-4-yl)pyridazin-3-one;ethane.

Molecular Properties

Compound Name5-chloro-2-(oxan-4-yl)pyridazin-3-one;ethane
PubChem CID178006796
Molecular FormulaC11H17ClN2O2
Molecular Weight244.72 g/mol
Exact Mass244.10
IUPAC Name5-chloro-2-(oxan-4-yl)pyridazin-3-one;ethane
SMILESCC.O=c1cc(Cl)cnn1C1CCOCC1
InChIInChI=1S/C9H11ClN2O2.C2H6/c10-7-5-9(13)12(11-6-7)8-1-3-14-4-2-8;1-2/h5-6,8H,1-4H2;1-2H3
InChIKeyVFMQCMVIQMGEDX-UHFFFAOYSA-N
XLogP2.27
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.72
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-Chloro-2-(tetrahydropyran-2-yl)pyridazin-3(2H)-one
CID 69607165
6-Chloro-2-(oxan-4-yl)pyridazin-3-one
CID 177774591
5-chloro-2-[(2R,6S)-2,6-dimethyloxan-4-yl]pyridazin-3-one
CID 177774640
5-Chloro-2-(oxan-4-yl)pyridazin-3-one
CID 177774691
5-chloro-2-[(2R,6S)-2,6-dimethyloxan-4-yl]pyridazin-3-one;ethane
CID 178006846
6-Chloro-2-(oxan-4-yl)pyridazin-3-one;ethane
CID 178006940
5-Chloro-2-(oxolan-3-yl)pyridazin-3-one;ethane
CID 178006943
5-Iodo-2-(oxan-4-yl)pyridazin-3-one
CID 114553698
2-(Oxan-4-yl)-2,3-dihydropyridazin-3-one
CID 126857276
5-(Dimethylamino)-2-(oxan-4-yl)-2,3-dihydropyridazin-3-one
CID 126857406
5-Bromo-2-(oxan-4-yl)-2,3-dihydropyridazin-3-one
CID 134828369

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(oxan-4-yl)pyridazin-3-one;ethane?
The IUPAC name of 5-chloro-2-(oxan-4-yl)pyridazin-3-one;ethane (CID 178006796) is 5-chloro-2-(oxan-4-yl)pyridazin-3-one;ethane.
What is the SMILES notation for 5-chloro-2-(oxan-4-yl)pyridazin-3-one;ethane?
The canonical SMILES for 5-chloro-2-(oxan-4-yl)pyridazin-3-one;ethane is CC.O=c1cc(Cl)cnn1C1CCOCC1.
What is the InChIKey of 5-chloro-2-(oxan-4-yl)pyridazin-3-one;ethane?
The InChIKey is VFMQCMVIQMGEDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O2.C2H6/c10-7-5-9(13)12(11-6-7)8-1-3-14-4-2-8;1-2/h5-6,8H,1-4H2;1-2H3.
What are the key properties of 5-chloro-2-(oxan-4-yl)pyridazin-3-one;ethane?
5-chloro-2-(oxan-4-yl)pyridazin-3-one;ethane has a molecular weight of 244.72 g/mol, XLogP of 2.27, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(oxan-4-yl)pyridazin-3-one;ethane is sourced from PubChem (CID 178006796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).