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

C10H14Br2N2O — CID 114386344

IUPAC4,5-dibromo-2-(2-methylpentyl)pyridazin-3-one
SMILESCCCC(C)Cn1ncc(Br)c(Br)c1=O
InChIInChI=1S/C10H14Br2N2O/c1-3-4-7(2)6-14-10(15)9(12)8(11)5-13-14/h5,7H,3-4,6H2,1-2H3
InChIKeyBVWCXRXWAYCIOI-UHFFFAOYSA-N
MW338.04 g/mol
LogP3.20
Rot. Bonds4

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

4,5-dibromo-2-(2-methylpentyl)pyridazin-3-one (PubChem CID 114386344) has the molecular formula C10H14Br2N2O and a molecular weight of 338.04 g/mol. Its IUPAC name is 4,5-dibromo-2-(2-methylpentyl)pyridazin-3-one.

Molecular Properties

Compound Name4,5-dibromo-2-(2-methylpentyl)pyridazin-3-one
PubChem CID114386344
Molecular FormulaC10H14Br2N2O
Molecular Weight338.04 g/mol
Exact Mass335.95
IUPAC Name4,5-dibromo-2-(2-methylpentyl)pyridazin-3-one
SMILESCCCC(C)Cn1ncc(Br)c(Br)c1=O
InChIInChI=1S/C10H14Br2N2O/c1-3-4-7(2)6-14-10(15)9(12)8(11)5-13-14/h5,7H,3-4,6H2,1-2H3
InChIKeyBVWCXRXWAYCIOI-UHFFFAOYSA-N
XLogP3.20
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.04
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-dibromo-2-ethylpyridazin-3-one
CID 10660506
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-(2-butoxyethyl)pyridazin-3-one
CID 115587307
4,5-dibromo-2-prop-2-enylpyridazin-3-one
CID 10541785
4,5-dibromo-2-prop-2-ynylpyridazin-3-one
CID 104840224
4-bromo-5-(pentan-2-ylamino)-2-prop-2-ynylpyridazin-3-one
CID 114431978
4,5-dibromo-2-[(3-methylimidazol-4-yl)methyl]pyridazin-3-one
CID 115684690
4,5-dibromo-2-[(4-tert-butylphenyl)methyl]pyridazin-3-one
CID 31202795
4-bromo-5-(4-methylpentylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 114434648
4,5-dibromo-2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]pyridazin-3-one
CID 114386416
4,5-dibromo-2-[(1-methylimidazol-2-yl)methyl]pyridazin-3-one
CID 115694341

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-2-(2-methylpentyl)pyridazin-3-one?
The IUPAC name of 4,5-dibromo-2-(2-methylpentyl)pyridazin-3-one (CID 114386344) is 4,5-dibromo-2-(2-methylpentyl)pyridazin-3-one.
What is the SMILES notation for 4,5-dibromo-2-(2-methylpentyl)pyridazin-3-one?
The canonical SMILES for 4,5-dibromo-2-(2-methylpentyl)pyridazin-3-one is CCCC(C)Cn1ncc(Br)c(Br)c1=O.
What is the InChIKey of 4,5-dibromo-2-(2-methylpentyl)pyridazin-3-one?
The InChIKey is BVWCXRXWAYCIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Br2N2O/c1-3-4-7(2)6-14-10(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-methylpentyl)pyridazin-3-one?
4,5-dibromo-2-(2-methylpentyl)pyridazin-3-one has a molecular weight of 338.04 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-2-(2-methylpentyl)pyridazin-3-one is sourced from PubChem (CID 114386344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).