4-chloro-5-cyclopentyl-6-methoxy-2-(oxan-2-yl)pyridazin-3-one

C15H21ClN2O3 — CID 68988720

IUPAC4-chloro-5-cyclopentyl-6-methoxy-2-(oxan-2-yl)pyridazin-3-one
SMILESCOc1nn(C2CCCCO2)c(=O)c(Cl)c1C1CCCC1
InChIInChI=1S/C15H21ClN2O3/c1-20-14-12(10-6-2-3-7-10)13(16)15(19)18(17-14)11-8-4-5-9-21-11/h10-11H,2-9H2,1H3
InChIKeyGETVYRUDCQKDES-UHFFFAOYSA-N
MW312.80 g/mol
LogP3.26
Rot. Bonds3

About 4-chloro-5-cyclopentyl-6-methoxy-2-(oxan-2-yl)pyridazin-3-one

4-chloro-5-cyclopentyl-6-methoxy-2-(oxan-2-yl)pyridazin-3-one (PubChem CID 68988720) has the molecular formula C15H21ClN2O3 and a molecular weight of 312.80 g/mol. Its IUPAC name is 4-chloro-5-cyclopentyl-6-methoxy-2-(oxan-2-yl)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-cyclopentyl-6-methoxy-2-(oxan-2-yl)pyridazin-3-one
PubChem CID68988720
Molecular FormulaC15H21ClN2O3
Molecular Weight312.80 g/mol
Exact Mass312.12
IUPAC Name4-chloro-5-cyclopentyl-6-methoxy-2-(oxan-2-yl)pyridazin-3-one
SMILESCOc1nn(C2CCCCO2)c(=O)c(Cl)c1C1CCCC1
InChIInChI=1S/C15H21ClN2O3/c1-20-14-12(10-6-2-3-7-10)13(16)15(19)18(17-14)11-8-4-5-9-21-11/h10-11H,2-9H2,1H3
InChIKeyGETVYRUDCQKDES-UHFFFAOYSA-N
XLogP3.26
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-cyclopentyl-6-methoxy-2-(oxan-2-yl)pyridazin-3-one?
The IUPAC name of 4-chloro-5-cyclopentyl-6-methoxy-2-(oxan-2-yl)pyridazin-3-one (CID 68988720) is 4-chloro-5-cyclopentyl-6-methoxy-2-(oxan-2-yl)pyridazin-3-one.
What is the SMILES notation for 4-chloro-5-cyclopentyl-6-methoxy-2-(oxan-2-yl)pyridazin-3-one?
The canonical SMILES for 4-chloro-5-cyclopentyl-6-methoxy-2-(oxan-2-yl)pyridazin-3-one is COc1nn(C2CCCCO2)c(=O)c(Cl)c1C1CCCC1.
What is the InChIKey of 4-chloro-5-cyclopentyl-6-methoxy-2-(oxan-2-yl)pyridazin-3-one?
The InChIKey is GETVYRUDCQKDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O3/c1-20-14-12(10-6-2-3-7-10)13(16)15(19)18(17-14)11-8-4-5-9-21-11/h10-11H,2-9H2,1H3.
What are the key properties of 4-chloro-5-cyclopentyl-6-methoxy-2-(oxan-2-yl)pyridazin-3-one?
4-chloro-5-cyclopentyl-6-methoxy-2-(oxan-2-yl)pyridazin-3-one has a molecular weight of 312.80 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-cyclopentyl-6-methoxy-2-(oxan-2-yl)pyridazin-3-one is sourced from PubChem (CID 68988720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).