5-bromo-2-(cyclobutylmethyl)-4-(hexan-2-ylamino)pyridazin-3-one

C15H24BrN3O — CID 114436910

IUPAC5-bromo-2-(cyclobutylmethyl)-4-(hexan-2-ylamino)pyridazin-3-one
SMILESCCCCC(C)Nc1c(Br)cnn(CC2CCC2)c1=O
InChIInChI=1S/C15H24BrN3O/c1-3-4-6-11(2)18-14-13(16)9-17-19(15(14)20)10-12-7-5-8-12/h9,11-12,18H,3-8,10H2,1-2H3
InChIKeyCVFWQXCWBAEIDG-UHFFFAOYSA-N
MW342.28 g/mol
LogP3.80
Rot. Bonds7

About 5-bromo-2-(cyclobutylmethyl)-4-(hexan-2-ylamino)pyridazin-3-one

5-bromo-2-(cyclobutylmethyl)-4-(hexan-2-ylamino)pyridazin-3-one (PubChem CID 114436910) has the molecular formula C15H24BrN3O and a molecular weight of 342.28 g/mol. Its IUPAC name is 5-bromo-2-(cyclobutylmethyl)-4-(hexan-2-ylamino)pyridazin-3-one.

Molecular Properties

Compound Name5-bromo-2-(cyclobutylmethyl)-4-(hexan-2-ylamino)pyridazin-3-one
PubChem CID114436910
Molecular FormulaC15H24BrN3O
Molecular Weight342.28 g/mol
Exact Mass341.11
IUPAC Name5-bromo-2-(cyclobutylmethyl)-4-(hexan-2-ylamino)pyridazin-3-one
SMILESCCCCC(C)Nc1c(Br)cnn(CC2CCC2)c1=O
InChIInChI=1S/C15H24BrN3O/c1-3-4-6-11(2)18-14-13(16)9-17-19(15(14)20)10-12-7-5-8-12/h9,11-12,18H,3-8,10H2,1-2H3
InChIKeyCVFWQXCWBAEIDG-UHFFFAOYSA-N
XLogP3.80
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-bromo-2-(cyclobutylmethyl)-4-(hexan-2-ylamino)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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(cyclobutylmethyl)-4-(hexan-2-ylamino)pyridazin-3-one?
The IUPAC name of 5-bromo-2-(cyclobutylmethyl)-4-(hexan-2-ylamino)pyridazin-3-one (CID 114436910) is 5-bromo-2-(cyclobutylmethyl)-4-(hexan-2-ylamino)pyridazin-3-one.
What is the SMILES notation for 5-bromo-2-(cyclobutylmethyl)-4-(hexan-2-ylamino)pyridazin-3-one?
The canonical SMILES for 5-bromo-2-(cyclobutylmethyl)-4-(hexan-2-ylamino)pyridazin-3-one is CCCCC(C)Nc1c(Br)cnn(CC2CCC2)c1=O.
What is the InChIKey of 5-bromo-2-(cyclobutylmethyl)-4-(hexan-2-ylamino)pyridazin-3-one?
The InChIKey is CVFWQXCWBAEIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN3O/c1-3-4-6-11(2)18-14-13(16)9-17-19(15(14)20)10-12-7-5-8-12/h9,11-12,18H,3-8,10H2,1-2H3.
What are the key properties of 5-bromo-2-(cyclobutylmethyl)-4-(hexan-2-ylamino)pyridazin-3-one?
5-bromo-2-(cyclobutylmethyl)-4-(hexan-2-ylamino)pyridazin-3-one has a molecular weight of 342.28 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(cyclobutylmethyl)-4-(hexan-2-ylamino)pyridazin-3-one is sourced from PubChem (CID 114436910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).