4,5-dibromo-2-(2-butoxyethyl)pyridazin-3-one

C10H14Br2N2O2 — CID 115587307

IUPAC4,5-dibromo-2-(2-butoxyethyl)pyridazin-3-one
SMILESCCCCOCCn1ncc(Br)c(Br)c1=O
InChIInChI=1S/C10H14Br2N2O2/c1-2-3-5-16-6-4-14-10(15)9(12)8(11)7-13-14/h7H,2-6H2,1H3
InChIKeyKEMQHBFJAPNNHJ-UHFFFAOYSA-N
MW354.04 g/mol
LogP2.59
Rot. Bonds6

About 4,5-dibromo-2-(2-butoxyethyl)pyridazin-3-one

4,5-dibromo-2-(2-butoxyethyl)pyridazin-3-one (PubChem CID 115587307) has the molecular formula C10H14Br2N2O2 and a molecular weight of 354.04 g/mol. Its IUPAC name is 4,5-dibromo-2-(2-butoxyethyl)pyridazin-3-one.

Molecular Properties

Compound Name4,5-dibromo-2-(2-butoxyethyl)pyridazin-3-one
PubChem CID115587307
Molecular FormulaC10H14Br2N2O2
Molecular Weight354.04 g/mol
Exact Mass351.94
IUPAC Name4,5-dibromo-2-(2-butoxyethyl)pyridazin-3-one
SMILESCCCCOCCn1ncc(Br)c(Br)c1=O
InChIInChI=1S/C10H14Br2N2O2/c1-2-3-5-16-6-4-14-10(15)9(12)8(11)7-13-14/h7H,2-6H2,1H3
InChIKeyKEMQHBFJAPNNHJ-UHFFFAOYSA-N
XLogP2.59
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.04
LogP ≤ 52.59
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-butylpyridazin-3-one
CID 10828722
4,5-dibromo-2-[2-(2-methylpropoxy)ethyl]pyridazin-3-one
CID 106455791
4,5-dibromo-2-ethylpyridazin-3-one
CID 10660506
2-(2-butoxyethyl)-5-iodopyridazin-3-one
CID 114553643
4-bromo-5-[3-(2-hydroxyethoxy)propylamino]-2-propylpyridazin-3-one
CID 106311115
2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-4-methyl-1,2,4-triazol-3-one
CID 116626782
4,5-dibromo-2-(2-methylpentyl)pyridazin-3-one
CID 114386344
5-bromo-3-(2-butoxyethyl)-6-methylpyrimidin-4-one
CID 66310463
5-(1-aminohexan-2-ylamino)-4-bromo-2-(2-methoxyethyl)pyridazin-3-one
CID 114446563
4-bromo-1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3,5-dimethylpyrazole
CID 104565657
[1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-5-methylpyrazol-4-yl]methanamine
CID 104567537
4,5-dibromo-2-[2-(2-methylimidazol-1-yl)ethyl]pyridazin-3-one
CID 114386342

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-2-(2-butoxyethyl)pyridazin-3-one?
The IUPAC name of 4,5-dibromo-2-(2-butoxyethyl)pyridazin-3-one (CID 115587307) is 4,5-dibromo-2-(2-butoxyethyl)pyridazin-3-one.
What is the SMILES notation for 4,5-dibromo-2-(2-butoxyethyl)pyridazin-3-one?
The canonical SMILES for 4,5-dibromo-2-(2-butoxyethyl)pyridazin-3-one is CCCCOCCn1ncc(Br)c(Br)c1=O.
What is the InChIKey of 4,5-dibromo-2-(2-butoxyethyl)pyridazin-3-one?
The InChIKey is KEMQHBFJAPNNHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Br2N2O2/c1-2-3-5-16-6-4-14-10(15)9(12)8(11)7-13-14/h7H,2-6H2,1H3.
What are the key properties of 4,5-dibromo-2-(2-butoxyethyl)pyridazin-3-one?
4,5-dibromo-2-(2-butoxyethyl)pyridazin-3-one has a molecular weight of 354.04 g/mol, XLogP of 2.59, 6 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-butoxyethyl)pyridazin-3-one is sourced from PubChem (CID 115587307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).