4-bromo-2-butyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridazin-3-one

C12H16BrN5O2 — CID 106402637

IUPAC4-bromo-2-butyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridazin-3-one
SMILESCCCCn1ncc(NCc2noc(C)n2)c(Br)c1=O
InChIInChI=1S/C12H16BrN5O2/c1-3-4-5-18-12(19)11(13)9(6-15-18)14-7-10-16-8(2)20-17-10/h6,14H,3-5,7H2,1-2H3
InChIKeySNWSMERTWKJNLG-UHFFFAOYSA-N
MW342.20 g/mol
LogP2.11
Rot. Bonds6

About 4-bromo-2-butyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridazin-3-one

4-bromo-2-butyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridazin-3-one (PubChem CID 106402637) has the molecular formula C12H16BrN5O2 and a molecular weight of 342.20 g/mol. Its IUPAC name is 4-bromo-2-butyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridazin-3-one.

Molecular Properties

Compound Name4-bromo-2-butyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridazin-3-one
PubChem CID106402637
Molecular FormulaC12H16BrN5O2
Molecular Weight342.20 g/mol
Exact Mass341.05
IUPAC Name4-bromo-2-butyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridazin-3-one
SMILESCCCCn1ncc(NCc2noc(C)n2)c(Br)c1=O
InChIInChI=1S/C12H16BrN5O2/c1-3-4-5-18-12(19)11(13)9(6-15-18)14-7-10-16-8(2)20-17-10/h6,14H,3-5,7H2,1-2H3
InChIKeySNWSMERTWKJNLG-UHFFFAOYSA-N
XLogP2.11
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.20
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-bromo-2-butyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)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-[2-(dimethylamino)ethyl]-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridazin-3-one
CID 106402588
4-bromo-2-methyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridazin-3-one
CID 113243855
4-bromo-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-2-(2-methylpropyl)pyridazin-3-one
CID 106402634
4-bromo-2-(2-hydroxyethyl)-5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridazin-3-one
CID 106418516
5-(2-aminoethylamino)-4-bromo-2-butylpyridazin-3-one
CID 114444079
4-bromo-2-butyl-5-[(3-methyl-4-pyridinyl)methylamino]pyridazin-3-one
CID 114700839
4-bromo-2-butyl-5-(3,3,3-trifluoropropylamino)pyridazin-3-one
CID 114437624
4-bromo-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-propylpyridazin-3-one
CID 114439954
4-bromo-2-butyl-5-[(3-methyl-2-pyridinyl)methylamino]pyridazin-3-one
CID 114437871
4-chloro-2-(2-methoxyethyl)-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridazin-3-one
CID 103703243
2-[(5-bromo-1-butyl-6-oxopyridazin-4-yl)amino]-N,N-dimethylethanesulfonamide
CID 106338803
4-bromo-2-butyl-5-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]pyridazin-3-one
CID 106149044

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-butyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridazin-3-one?
The IUPAC name of 4-bromo-2-butyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridazin-3-one (CID 106402637) is 4-bromo-2-butyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridazin-3-one.
What is the SMILES notation for 4-bromo-2-butyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridazin-3-one?
The canonical SMILES for 4-bromo-2-butyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridazin-3-one is CCCCn1ncc(NCc2noc(C)n2)c(Br)c1=O.
What is the InChIKey of 4-bromo-2-butyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridazin-3-one?
The InChIKey is SNWSMERTWKJNLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN5O2/c1-3-4-5-18-12(19)11(13)9(6-15-18)14-7-10-16-8(2)20-17-10/h6,14H,3-5,7H2,1-2H3.
What are the key properties of 4-bromo-2-butyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridazin-3-one?
4-bromo-2-butyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridazin-3-one has a molecular weight of 342.20 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-butyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridazin-3-one is sourced from PubChem (CID 106402637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).