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

C10H14Br2N2O2 — CID 106455791

IUPAC4,5-dibromo-2-[2-(2-methylpropoxy)ethyl]pyridazin-3-one
SMILESCC(C)COCCn1ncc(Br)c(Br)c1=O
InChIInChI=1S/C10H14Br2N2O2/c1-7(2)6-16-4-3-14-10(15)9(12)8(11)5-13-14/h5,7H,3-4,6H2,1-2H3
InChIKeyCHEQMWQIWWLZJK-UHFFFAOYSA-N
MW354.04 g/mol
LogP2.44
Rot. Bonds5

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

4,5-dibromo-2-[2-(2-methylpropoxy)ethyl]pyridazin-3-one (PubChem CID 106455791) has the molecular formula C10H14Br2N2O2 and a molecular weight of 354.04 g/mol. Its IUPAC name is 4,5-dibromo-2-[2-(2-methylpropoxy)ethyl]pyridazin-3-one.

Molecular Properties

Compound Name4,5-dibromo-2-[2-(2-methylpropoxy)ethyl]pyridazin-3-one
PubChem CID106455791
Molecular FormulaC10H14Br2N2O2
Molecular Weight354.04 g/mol
Exact Mass351.94
IUPAC Name4,5-dibromo-2-[2-(2-methylpropoxy)ethyl]pyridazin-3-one
SMILESCC(C)COCCn1ncc(Br)c(Br)c1=O
InChIInChI=1S/C10H14Br2N2O2/c1-7(2)6-16-4-3-14-10(15)9(12)8(11)5-13-14/h5,7H,3-4,6H2,1-2H3
InChIKeyCHEQMWQIWWLZJK-UHFFFAOYSA-N
XLogP2.44
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.04
LogP ≤ 52.44
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

4,5-dibromo-2-(2-butoxyethyl)pyridazin-3-one
CID 115587307
4,5-dibromo-2-butylpyridazin-3-one
CID 10828722
4,5-dibromo-2-ethylpyridazin-3-one
CID 10660506
4,5-dibromo-2-(2-methylpentyl)pyridazin-3-one
CID 114386344
2-[2-(2-methylpropoxy)ethyl]-5-(2-methylpropylamino)pyridazin-3-one
CID 106460207
4,5-dibromo-2-[2-(2-methylimidazol-1-yl)ethyl]pyridazin-3-one
CID 114386342
5-[2-aminoethyl(methyl)amino]-2-[2-(2-methylpropoxy)ethyl]pyridazin-3-one
CID 106460215
1-[2-(2-methylpropoxy)ethyl]-6-oxopyridazine-3-carboxylic acid
CID 106453912
4,5-dibromo-2-prop-2-enylpyridazin-3-one
CID 10541785
4,5-dibromo-2-prop-2-ynylpyridazin-3-one
CID 104840224
4,5-dibromo-2-[(3-methylimidazol-4-yl)methyl]pyridazin-3-one
CID 115684690
4-bromo-2-(2-methoxyethyl)-5-[(3-methyl-2-propan-2-ylbutyl)amino]pyridazin-3-one
CID 102913926

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-2-[2-(2-methylpropoxy)ethyl]pyridazin-3-one?
The IUPAC name of 4,5-dibromo-2-[2-(2-methylpropoxy)ethyl]pyridazin-3-one (CID 106455791) is 4,5-dibromo-2-[2-(2-methylpropoxy)ethyl]pyridazin-3-one.
What is the SMILES notation for 4,5-dibromo-2-[2-(2-methylpropoxy)ethyl]pyridazin-3-one?
The canonical SMILES for 4,5-dibromo-2-[2-(2-methylpropoxy)ethyl]pyridazin-3-one is CC(C)COCCn1ncc(Br)c(Br)c1=O.
What is the InChIKey of 4,5-dibromo-2-[2-(2-methylpropoxy)ethyl]pyridazin-3-one?
The InChIKey is CHEQMWQIWWLZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Br2N2O2/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-dibromo-2-[2-(2-methylpropoxy)ethyl]pyridazin-3-one?
4,5-dibromo-2-[2-(2-methylpropoxy)ethyl]pyridazin-3-one has a molecular weight of 354.04 g/mol, XLogP of 2.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-2-[2-(2-methylpropoxy)ethyl]pyridazin-3-one is sourced from PubChem (CID 106455791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).