4,5-dibromo-2-[2-(2-methylimidazol-1-yl)ethyl]pyridazin-3-one

C10H10Br2N4O — CID 114386342

IUPAC4,5-dibromo-2-[2-(2-methylimidazol-1-yl)ethyl]pyridazin-3-one
SMILESCc1nccn1CCn1ncc(Br)c(Br)c1=O
InChIInChI=1S/C10H10Br2N4O/c1-7-13-2-3-15(7)4-5-16-10(17)9(12)8(11)6-14-16/h2-3,6H,4-5H2,1H3
InChIKeyUGSUWQFBCWZJQU-UHFFFAOYSA-N
MW362.03 g/mol
LogP1.97
Rot. Bonds3

About 4,5-dibromo-2-[2-(2-methylimidazol-1-yl)ethyl]pyridazin-3-one

4,5-dibromo-2-[2-(2-methylimidazol-1-yl)ethyl]pyridazin-3-one (PubChem CID 114386342) has the molecular formula C10H10Br2N4O and a molecular weight of 362.03 g/mol. Its IUPAC name is 4,5-dibromo-2-[2-(2-methylimidazol-1-yl)ethyl]pyridazin-3-one.

Molecular Properties

Compound Name4,5-dibromo-2-[2-(2-methylimidazol-1-yl)ethyl]pyridazin-3-one
PubChem CID114386342
Molecular FormulaC10H10Br2N4O
Molecular Weight362.03 g/mol
Exact Mass359.92
IUPAC Name4,5-dibromo-2-[2-(2-methylimidazol-1-yl)ethyl]pyridazin-3-one
SMILESCc1nccn1CCn1ncc(Br)c(Br)c1=O
InChIInChI=1S/C10H10Br2N4O/c1-7-13-2-3-15(7)4-5-16-10(17)9(12)8(11)6-14-16/h2-3,6H,4-5H2,1H3
InChIKeyUGSUWQFBCWZJQU-UHFFFAOYSA-N
XLogP1.97
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.03
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4,5-dibromo-2-[2-(2-methylimidazol-1-yl)ethyl]pyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,5-dibromo-2-[(1-methylimidazol-2-yl)methyl]pyridazin-3-one
CID 115694341
4,5-dibromo-2-butylpyridazin-3-one
CID 10828722
4,5-dibromo-2-ethylpyridazin-3-one
CID 10660506
5-bromo-3-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]pyridin-2-one
CID 83132882
1-[2-(2-methylimidazol-1-yl)ethyl]imidazole-2-carbaldehyde
CID 62223868
4,5-dibromo-2-[2-(2-methylpropoxy)ethyl]pyridazin-3-one
CID 106455791
5-(cyclopropylmethylamino)-2-[2-(2-methylimidazol-1-yl)ethyl]pyridazin-3-one
CID 103221754
4,5-dibromo-2-(2-butoxyethyl)pyridazin-3-one
CID 115587307
3-amino-1-[2-(2-methylimidazol-1-yl)ethyl]pyridin-2-one
CID 62101802
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

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-2-[2-(2-methylimidazol-1-yl)ethyl]pyridazin-3-one?
The IUPAC name of 4,5-dibromo-2-[2-(2-methylimidazol-1-yl)ethyl]pyridazin-3-one (CID 114386342) is 4,5-dibromo-2-[2-(2-methylimidazol-1-yl)ethyl]pyridazin-3-one.
What is the SMILES notation for 4,5-dibromo-2-[2-(2-methylimidazol-1-yl)ethyl]pyridazin-3-one?
The canonical SMILES for 4,5-dibromo-2-[2-(2-methylimidazol-1-yl)ethyl]pyridazin-3-one is Cc1nccn1CCn1ncc(Br)c(Br)c1=O.
What is the InChIKey of 4,5-dibromo-2-[2-(2-methylimidazol-1-yl)ethyl]pyridazin-3-one?
The InChIKey is UGSUWQFBCWZJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Br2N4O/c1-7-13-2-3-15(7)4-5-16-10(17)9(12)8(11)6-14-16/h2-3,6H,4-5H2,1H3.
What are the key properties of 4,5-dibromo-2-[2-(2-methylimidazol-1-yl)ethyl]pyridazin-3-one?
4,5-dibromo-2-[2-(2-methylimidazol-1-yl)ethyl]pyridazin-3-one has a molecular weight of 362.03 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-2-[2-(2-methylimidazol-1-yl)ethyl]pyridazin-3-one is sourced from PubChem (CID 114386342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).