4,5-dibromo-2-propylpyridazin-3-one

C7H8Br2N2O — CID 10756312

IUPAC4,5-dibromo-2-propylpyridazin-3-one
SMILESCCCn1ncc(Br)c(Br)c1=O
InChIInChI=1S/C7H8Br2N2O/c1-2-3-11-7(12)6(9)5(8)4-10-11/h4H,2-3H2,1H3
InChIKeyDUCVDLQDHGSGOH-UHFFFAOYSA-N
MW295.96 g/mol
LogP2.18
Rot. Bonds2

About 4,5-dibromo-2-propylpyridazin-3-one

4,5-dibromo-2-propylpyridazin-3-one (PubChem CID 10756312) has the molecular formula C7H8Br2N2O and a molecular weight of 295.96 g/mol. Its IUPAC name is 4,5-dibromo-2-propylpyridazin-3-one.

Molecular Properties

Compound Name4,5-dibromo-2-propylpyridazin-3-one
PubChem CID10756312
Molecular FormulaC7H8Br2N2O
Molecular Weight295.96 g/mol
Exact Mass293.90
IUPAC Name4,5-dibromo-2-propylpyridazin-3-one
SMILESCCCn1ncc(Br)c(Br)c1=O
InChIInChI=1S/C7H8Br2N2O/c1-2-3-11-7(12)6(9)5(8)4-10-11/h4H,2-3H2,1H3
InChIKeyDUCVDLQDHGSGOH-UHFFFAOYSA-N
XLogP2.18
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.96
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-2-propylpyridazin-3-one?
The IUPAC name of 4,5-dibromo-2-propylpyridazin-3-one (CID 10756312) is 4,5-dibromo-2-propylpyridazin-3-one.
What is the SMILES notation for 4,5-dibromo-2-propylpyridazin-3-one?
The canonical SMILES for 4,5-dibromo-2-propylpyridazin-3-one is CCCn1ncc(Br)c(Br)c1=O.
What is the InChIKey of 4,5-dibromo-2-propylpyridazin-3-one?
The InChIKey is DUCVDLQDHGSGOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8Br2N2O/c1-2-3-11-7(12)6(9)5(8)4-10-11/h4H,2-3H2,1H3.
What are the key properties of 4,5-dibromo-2-propylpyridazin-3-one?
4,5-dibromo-2-propylpyridazin-3-one has a molecular weight of 295.96 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-2-propylpyridazin-3-one is sourced from PubChem (CID 10756312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).