4-bromo-2-(cyclopropylmethyl)-5-(methylamino)pyridazin-3-one

C9H12BrN3O — CID 114431676

IUPAC4-bromo-2-(cyclopropylmethyl)-5-(methylamino)pyridazin-3-one
SMILESCNc1cnn(CC2CC2)c(=O)c1Br
InChIInChI=1S/C9H12BrN3O/c1-11-7-4-12-13(5-6-2-3-6)9(14)8(7)10/h4,6,11H,2-3,5H2,1H3
InChIKeyLLDLXZQMWSQFQM-UHFFFAOYSA-N
MW258.12 g/mol
LogP1.46
Rot. Bonds3

About 4-bromo-2-(cyclopropylmethyl)-5-(methylamino)pyridazin-3-one

4-bromo-2-(cyclopropylmethyl)-5-(methylamino)pyridazin-3-one (PubChem CID 114431676) has the molecular formula C9H12BrN3O and a molecular weight of 258.12 g/mol. Its IUPAC name is 4-bromo-2-(cyclopropylmethyl)-5-(methylamino)pyridazin-3-one.

Molecular Properties

Compound Name4-bromo-2-(cyclopropylmethyl)-5-(methylamino)pyridazin-3-one
PubChem CID114431676
Molecular FormulaC9H12BrN3O
Molecular Weight258.12 g/mol
Exact Mass257.02
IUPAC Name4-bromo-2-(cyclopropylmethyl)-5-(methylamino)pyridazin-3-one
SMILESCNc1cnn(CC2CC2)c(=O)c1Br
InChIInChI=1S/C9H12BrN3O/c1-11-7-4-12-13(5-6-2-3-6)9(14)8(7)10/h4,6,11H,2-3,5H2,1H3
InChIKeyLLDLXZQMWSQFQM-UHFFFAOYSA-N
XLogP1.46
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.12
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-bromo-2-(cyclopropylmethyl)-5-(methylamino)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-bromo-2-(cyclopropylmethyl)-5-(prop-2-ynylamino)pyridazin-3-one
CID 114436899
4-bromo-2-(cyclopropylmethyl)-5-[(1-methylpiperidin-4-yl)amino]pyridazin-3-one
CID 114433149
4-bromo-2-(cyclopropylmethyl)-5-(2,2-difluoroethylamino)pyridazin-3-one
CID 114440775
4-bromo-2-(cyclopropylmethyl)-5-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]pyridazin-3-one
CID 107851373
4-bromo-2-(cyclopropylmethyl)-5-(3-methoxypropylamino)pyridazin-3-one
CID 114432904
4-bromo-2-(cyclopropylmethyl)-5-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]pyridazin-3-one
CID 114432134
4-bromo-2-(cyclopropylmethyl)-5-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]pyridazin-3-one
CID 107866283
4-bromo-2-(cyclopropylmethyl)-5-(2-methoxypropylamino)pyridazin-3-one
CID 102698914
4-bromo-2-(cyclopropylmethyl)-5-[(3-hydroxy-2-methylbutan-2-yl)amino]pyridazin-3-one
CID 114443213
4-bromo-2-(cyclopropylmethyl)-5-[3-(ethylamino)propylamino]pyridazin-3-one
CID 114444121
5-(benzylamino)-4-bromo-2-(cyclopropylmethyl)pyridazin-3-one
CID 114432064
4-bromo-2-(cyclopropylmethyl)-5-[[1-(hydroxymethyl)cyclopropyl]amino]pyridazin-3-one
CID 114443191

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(cyclopropylmethyl)-5-(methylamino)pyridazin-3-one?
The IUPAC name of 4-bromo-2-(cyclopropylmethyl)-5-(methylamino)pyridazin-3-one (CID 114431676) is 4-bromo-2-(cyclopropylmethyl)-5-(methylamino)pyridazin-3-one.
What is the SMILES notation for 4-bromo-2-(cyclopropylmethyl)-5-(methylamino)pyridazin-3-one?
The canonical SMILES for 4-bromo-2-(cyclopropylmethyl)-5-(methylamino)pyridazin-3-one is CNc1cnn(CC2CC2)c(=O)c1Br.
What is the InChIKey of 4-bromo-2-(cyclopropylmethyl)-5-(methylamino)pyridazin-3-one?
The InChIKey is LLDLXZQMWSQFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN3O/c1-11-7-4-12-13(5-6-2-3-6)9(14)8(7)10/h4,6,11H,2-3,5H2,1H3.
What are the key properties of 4-bromo-2-(cyclopropylmethyl)-5-(methylamino)pyridazin-3-one?
4-bromo-2-(cyclopropylmethyl)-5-(methylamino)pyridazin-3-one has a molecular weight of 258.12 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(cyclopropylmethyl)-5-(methylamino)pyridazin-3-one is sourced from PubChem (CID 114431676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).