4,5-dichloro-2-(oxetan-3-ylmethyl)pyridazin-3-one

C8H8Cl2N2O2 — CID 177361694

IUPAC4,5-dichloro-2-(oxetan-3-ylmethyl)pyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1CC1COC1
InChIInChI=1S/C8H8Cl2N2O2/c9-6-1-11-12(8(13)7(6)10)2-5-3-14-4-5/h1,5H,2-4H2
InChIKeyTWZYYDXZGDXXMI-UHFFFAOYSA-N
MW235.07 g/mol
LogP1.20
Rot. Bonds2

About 4,5-dichloro-2-(oxetan-3-ylmethyl)pyridazin-3-one

4,5-dichloro-2-(oxetan-3-ylmethyl)pyridazin-3-one (PubChem CID 177361694) has the molecular formula C8H8Cl2N2O2 and a molecular weight of 235.07 g/mol. Its IUPAC name is 4,5-dichloro-2-(oxetan-3-ylmethyl)pyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-2-(oxetan-3-ylmethyl)pyridazin-3-one
PubChem CID177361694
Molecular FormulaC8H8Cl2N2O2
Molecular Weight235.07 g/mol
Exact Mass234.00
IUPAC Name4,5-dichloro-2-(oxetan-3-ylmethyl)pyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1CC1COC1
InChIInChI=1S/C8H8Cl2N2O2/c9-6-1-11-12(8(13)7(6)10)2-5-3-14-4-5/h1,5H,2-4H2
InChIKeyTWZYYDXZGDXXMI-UHFFFAOYSA-N
XLogP1.20
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.07
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4,5-Dichloro-2-[3-(2,2,2-trifluoroethoxy)propyl]pyridazin-3-one
CID 115590557
2-(2-chloro-2-methylpropyl)-4,5-dichloro-3(2H)-pyridazinone
CID 23039512
4,5-Dichloro-2-(2-methylpropyl)pyridazin-3-one
CID 43089702
4,5-Dichloro-2-(1-methoxybutyl)pyridazin-3-one
CID 168963015
5-[Amino(methyl)amino]-4-chloro-2-(oxetan-3-ylmethyl)pyridazin-3-one
CID 177361707
4,5-Dichloro-2-(3-methoxypropyl)pyridazin-3(2H)-one
CID 52634722
4,5-Dichloro-2-(3-methoxy-3-methylbutyl)pyridazin-3-one
CID 102974987
4,5-Dichloro-2-[3-(2-methoxyethoxy)propyl]pyridazin-3-one
CID 103411697
4,5-Dichloro-2-[2-(2-methylpropoxy)ethyl]pyridazin-3-one
CID 106455793
4,5-Dichloro-2-(3-ethoxypropyl)pyridazin-3-one
CID 115646917
4,5-Dichloro-2-(4-methoxybutyl)pyridazin-3-one
CID 115687841
4,5-Dichloro-2-(3-hydroxy-2-methylpropyl)pyridazin-3-one
CID 115870820

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-(oxetan-3-ylmethyl)pyridazin-3-one?
The IUPAC name of 4,5-dichloro-2-(oxetan-3-ylmethyl)pyridazin-3-one (CID 177361694) is 4,5-dichloro-2-(oxetan-3-ylmethyl)pyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-2-(oxetan-3-ylmethyl)pyridazin-3-one?
The canonical SMILES for 4,5-dichloro-2-(oxetan-3-ylmethyl)pyridazin-3-one is O=c1c(Cl)c(Cl)cnn1CC1COC1.
What is the InChIKey of 4,5-dichloro-2-(oxetan-3-ylmethyl)pyridazin-3-one?
The InChIKey is TWZYYDXZGDXXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2N2O2/c9-6-1-11-12(8(13)7(6)10)2-5-3-14-4-5/h1,5H,2-4H2.
What are the key properties of 4,5-dichloro-2-(oxetan-3-ylmethyl)pyridazin-3-one?
4,5-dichloro-2-(oxetan-3-ylmethyl)pyridazin-3-one has a molecular weight of 235.07 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-(oxetan-3-ylmethyl)pyridazin-3-one is sourced from PubChem (CID 177361694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).