4,5-dichloro-2-[2-(2-methylpropoxy)ethyl]pyridazin-3-one

C10H14Cl2N2O2 — CID 106455793

IUPAC4,5-dichloro-2-[2-(2-methylpropoxy)ethyl]pyridazin-3-one
SMILESCC(C)COCCn1ncc(Cl)c(Cl)c1=O
InChIInChI=1S/C10H14Cl2N2O2/c1-7(2)6-16-4-3-14-10(15)9(12)8(11)5-13-14/h5,7H,3-4,6H2,1-2H3
InChIKeyLQNBEESQQWDUGJ-UHFFFAOYSA-N
MW265.14 g/mol
LogP2.22
Rot. Bonds5

About 4,5-dichloro-2-[2-(2-methylpropoxy)ethyl]pyridazin-3-one

4,5-dichloro-2-[2-(2-methylpropoxy)ethyl]pyridazin-3-one (PubChem CID 106455793) has the molecular formula C10H14Cl2N2O2 and a molecular weight of 265.14 g/mol. Its IUPAC name is 4,5-dichloro-2-[2-(2-methylpropoxy)ethyl]pyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-2-[2-(2-methylpropoxy)ethyl]pyridazin-3-one
PubChem CID106455793
Molecular FormulaC10H14Cl2N2O2
Molecular Weight265.14 g/mol
Exact Mass264.04
IUPAC Name4,5-dichloro-2-[2-(2-methylpropoxy)ethyl]pyridazin-3-one
SMILESCC(C)COCCn1ncc(Cl)c(Cl)c1=O
InChIInChI=1S/C10H14Cl2N2O2/c1-7(2)6-16-4-3-14-10(15)9(12)8(11)5-13-14/h5,7H,3-4,6H2,1-2H3
InChIKeyLQNBEESQQWDUGJ-UHFFFAOYSA-N
XLogP2.22
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.14
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3(2H)-Pyridazinone, 4,5-dichloro-2-(2-(4-morpholinyl)ethyl)-, monohydrochloride
CID 3049769
4,5-Dichloro-2-(2-morpholin-4-ylethyl)pyridazin-3-one
CID 3049770
Ethyl 2-(5-chloro-4-fluoro-6-oxopyridazin-1-yl)acetate
CID 70449857
Ethyl 2-(4,5-dichloro-6-oxopyridazin-1-yl)-2-fluoroacetate
CID 162727608
4,5-Dichloro-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one
CID 115584264
4,5-Dichloro-2-(2-methylpropyl)pyridazin-3-one
CID 43089702
tert-butyl 2-[4,5-dichloro-6-oxo-1(6H)-pyridazinyl]acetate
CID 60353953
4,5-dichloro-2-(2-methoxy-ethyl)-2H-pyridazin-3-one
CID 66864935
4-chloro-2-(2-methoxy-ethyl)-5-methoxy-2H-pyridazin-3-one
CID 66865809
Ethyl 2-(4,5-dichloro-6-oxopyridazin-1-yl)acetate
CID 68431642
Ethyl 2-(4,5-dichloro-6-oxopyridazin-1-yl)propanoate
CID 162727776
4,5-Dichloro-2-(1-methoxybutyl)pyridazin-3-one
CID 168963015

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-[2-(2-methylpropoxy)ethyl]pyridazin-3-one?
The IUPAC name of 4,5-dichloro-2-[2-(2-methylpropoxy)ethyl]pyridazin-3-one (CID 106455793) is 4,5-dichloro-2-[2-(2-methylpropoxy)ethyl]pyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-2-[2-(2-methylpropoxy)ethyl]pyridazin-3-one?
The canonical SMILES for 4,5-dichloro-2-[2-(2-methylpropoxy)ethyl]pyridazin-3-one is CC(C)COCCn1ncc(Cl)c(Cl)c1=O.
What is the InChIKey of 4,5-dichloro-2-[2-(2-methylpropoxy)ethyl]pyridazin-3-one?
The InChIKey is LQNBEESQQWDUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl2N2O2/c1-7(2)6-16-4-3-14-10(15)9(12)8(11)5-13-14/h5,7H,3-4,6H2,1-2H3.
What are the key properties of 4,5-dichloro-2-[2-(2-methylpropoxy)ethyl]pyridazin-3-one?
4,5-dichloro-2-[2-(2-methylpropoxy)ethyl]pyridazin-3-one has a molecular weight of 265.14 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-[2-(2-methylpropoxy)ethyl]pyridazin-3-one is sourced from PubChem (CID 106455793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).