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

C13H17ClN2O3 — CID 66875264

IUPAC4-chloro-5-cyclobutyloxy-2-(oxan-2-yl)pyridazin-3-one
SMILESO=c1c(Cl)c(OC2CCC2)cnn1C1CCCCO1
InChIInChI=1S/C13H17ClN2O3/c14-12-10(19-9-4-3-5-9)8-15-16(13(12)17)11-6-1-2-7-18-11/h8-9,11H,1-7H2
InChIKeyZDGSKXJAQFDNIR-UHFFFAOYSA-N
MW284.74 g/mol
LogP2.53
Rot. Bonds3

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

4-chloro-5-cyclobutyloxy-2-(oxan-2-yl)pyridazin-3-one (PubChem CID 66875264) has the molecular formula C13H17ClN2O3 and a molecular weight of 284.74 g/mol. Its IUPAC name is 4-chloro-5-cyclobutyloxy-2-(oxan-2-yl)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-cyclobutyloxy-2-(oxan-2-yl)pyridazin-3-one
PubChem CID66875264
Molecular FormulaC13H17ClN2O3
Molecular Weight284.74 g/mol
Exact Mass284.09
IUPAC Name4-chloro-5-cyclobutyloxy-2-(oxan-2-yl)pyridazin-3-one
SMILESO=c1c(Cl)c(OC2CCC2)cnn1C1CCCCO1
InChIInChI=1S/C13H17ClN2O3/c14-12-10(19-9-4-3-5-9)8-15-16(13(12)17)11-6-1-2-7-18-11/h8-9,11H,1-7H2
InChIKeyZDGSKXJAQFDNIR-UHFFFAOYSA-N
XLogP2.53
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-cyclobutyloxy-2-(oxan-2-yl)pyridazin-3-one?
The IUPAC name of 4-chloro-5-cyclobutyloxy-2-(oxan-2-yl)pyridazin-3-one (CID 66875264) is 4-chloro-5-cyclobutyloxy-2-(oxan-2-yl)pyridazin-3-one.
What is the SMILES notation for 4-chloro-5-cyclobutyloxy-2-(oxan-2-yl)pyridazin-3-one?
The canonical SMILES for 4-chloro-5-cyclobutyloxy-2-(oxan-2-yl)pyridazin-3-one is O=c1c(Cl)c(OC2CCC2)cnn1C1CCCCO1.
What is the InChIKey of 4-chloro-5-cyclobutyloxy-2-(oxan-2-yl)pyridazin-3-one?
The InChIKey is ZDGSKXJAQFDNIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3/c14-12-10(19-9-4-3-5-9)8-15-16(13(12)17)11-6-1-2-7-18-11/h8-9,11H,1-7H2.
What are the key properties of 4-chloro-5-cyclobutyloxy-2-(oxan-2-yl)pyridazin-3-one?
4-chloro-5-cyclobutyloxy-2-(oxan-2-yl)pyridazin-3-one has a molecular weight of 284.74 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-cyclobutyloxy-2-(oxan-2-yl)pyridazin-3-one is sourced from PubChem (CID 66875264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).