2-[(3-bromophenyl)methyl]-5-(2-methylpropylamino)pyridazin-3-one

C15H18BrN3O — CID 103221567

IUPAC2-[(3-bromophenyl)methyl]-5-(2-methylpropylamino)pyridazin-3-one
SMILESCC(C)CNc1cnn(Cc2cccc(Br)c2)c(=O)c1
InChIInChI=1S/C15H18BrN3O/c1-11(2)8-17-14-7-15(20)19(18-9-14)10-12-4-3-5-13(16)6-12/h3-7,9,11,17H,8,10H2,1-2H3
InChIKeyDRDRFPITHIYJOG-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.12
Rot. Bonds5

About 2-[(3-bromophenyl)methyl]-5-(2-methylpropylamino)pyridazin-3-one

2-[(3-bromophenyl)methyl]-5-(2-methylpropylamino)pyridazin-3-one (PubChem CID 103221567) has the molecular formula C15H18BrN3O and a molecular weight of 336.23 g/mol. Its IUPAC name is 2-[(3-bromophenyl)methyl]-5-(2-methylpropylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-[(3-bromophenyl)methyl]-5-(2-methylpropylamino)pyridazin-3-one
PubChem CID103221567
Molecular FormulaC15H18BrN3O
Molecular Weight336.23 g/mol
Exact Mass335.06
IUPAC Name2-[(3-bromophenyl)methyl]-5-(2-methylpropylamino)pyridazin-3-one
SMILESCC(C)CNc1cnn(Cc2cccc(Br)c2)c(=O)c1
InChIInChI=1S/C15H18BrN3O/c1-11(2)8-17-14-7-15(20)19(18-9-14)10-12-4-3-5-13(16)6-12/h3-7,9,11,17H,8,10H2,1-2H3
InChIKeyDRDRFPITHIYJOG-UHFFFAOYSA-N
XLogP3.12
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(3-bromophenyl)methyl]-5-(2-methylpropylamino)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

2-[(3-bromophenyl)methyl]-5-(methylamino)pyridazin-3-one
CID 103218557
2-[(2,3-dichlorophenyl)methyl]-5-(2-methylpropylamino)pyridazin-3-one
CID 107313022
2-[(3-bromophenyl)methyl]-5-(cyclobutylamino)pyridazin-3-one
CID 103220543
2-[(3-bromophenyl)methyl]-5-iodopyridazin-3-one
CID 114553473
5-(2-methylpropylamino)-2-(2-pyridin-3-ylethyl)pyridazin-3-one
CID 103221479
5-(2-methylpropylamino)-2-(1,3-thiazol-5-ylmethyl)pyridazin-3-one
CID 103221517
2-[2-(2-methylpropoxy)ethyl]-5-(2-methylpropylamino)pyridazin-3-one
CID 106460207
4-(bromomethyl)-1-[(3-bromophenyl)methyl]-5-propan-2-ylpyrazole
CID 66437746
N-tert-butyl-2-[4-(2-methylpropylamino)-6-oxopyridazin-1-yl]acetamide
CID 103221610
2-(3-ethylsulfanylpropyl)-5-(2-methylpropylamino)pyridazin-3-one
CID 103221727
2-benzyl-5-[[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]amino]pyridazin-3-one
CID 97016085
2-[2-(3-bromophenoxy)ethyl]-5-(ethylamino)pyridazin-3-one
CID 103218905

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)methyl]-5-(2-methylpropylamino)pyridazin-3-one?
The IUPAC name of 2-[(3-bromophenyl)methyl]-5-(2-methylpropylamino)pyridazin-3-one (CID 103221567) is 2-[(3-bromophenyl)methyl]-5-(2-methylpropylamino)pyridazin-3-one.
What is the SMILES notation for 2-[(3-bromophenyl)methyl]-5-(2-methylpropylamino)pyridazin-3-one?
The canonical SMILES for 2-[(3-bromophenyl)methyl]-5-(2-methylpropylamino)pyridazin-3-one is CC(C)CNc1cnn(Cc2cccc(Br)c2)c(=O)c1.
What is the InChIKey of 2-[(3-bromophenyl)methyl]-5-(2-methylpropylamino)pyridazin-3-one?
The InChIKey is DRDRFPITHIYJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O/c1-11(2)8-17-14-7-15(20)19(18-9-14)10-12-4-3-5-13(16)6-12/h3-7,9,11,17H,8,10H2,1-2H3.
What are the key properties of 2-[(3-bromophenyl)methyl]-5-(2-methylpropylamino)pyridazin-3-one?
2-[(3-bromophenyl)methyl]-5-(2-methylpropylamino)pyridazin-3-one has a molecular weight of 336.23 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)methyl]-5-(2-methylpropylamino)pyridazin-3-one is sourced from PubChem (CID 103221567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).