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

C15H24ClN3O — CID 114436917

IUPAC5-chloro-2-(cyclobutylmethyl)-4-(hexan-2-ylamino)pyridazin-3-one
SMILESCCCCC(C)Nc1c(Cl)cnn(CC2CCC2)c1=O
InChIInChI=1S/C15H24ClN3O/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
InChIKeyWMTHGWRCQPKMAG-UHFFFAOYSA-N
MW297.83 g/mol
LogP3.69
Rot. Bonds7

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

5-chloro-2-(cyclobutylmethyl)-4-(hexan-2-ylamino)pyridazin-3-one (PubChem CID 114436917) has the molecular formula C15H24ClN3O and a molecular weight of 297.83 g/mol. Its IUPAC name is 5-chloro-2-(cyclobutylmethyl)-4-(hexan-2-ylamino)pyridazin-3-one.

Molecular Properties

Compound Name5-chloro-2-(cyclobutylmethyl)-4-(hexan-2-ylamino)pyridazin-3-one
PubChem CID114436917
Molecular FormulaC15H24ClN3O
Molecular Weight297.83 g/mol
Exact Mass297.16
IUPAC Name5-chloro-2-(cyclobutylmethyl)-4-(hexan-2-ylamino)pyridazin-3-one
SMILESCCCCC(C)Nc1c(Cl)cnn(CC2CCC2)c1=O
InChIInChI=1S/C15H24ClN3O/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
InChIKeyWMTHGWRCQPKMAG-UHFFFAOYSA-N
XLogP3.69
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-chloro-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

Related Compounds

5-bromo-2-(cyclobutylmethyl)-4-(hexan-2-ylamino)pyridazin-3-one
CID 114436910
5-bromo-2-(cyclobutylmethyl)-4-(heptan-2-ylamino)pyridazin-3-one
CID 114435361
5-chloro-2-(cyclobutylmethyl)-4-(1-cyclopropylpropan-2-ylamino)pyridazin-3-one
CID 114438346
5-chloro-2-(cyclobutylmethyl)-4-(1-ethoxypropan-2-ylamino)pyridazin-3-one
CID 114436339
5-chloro-2-(cyclobutylmethyl)-4-(3-methylpentan-2-ylamino)pyridazin-3-one
CID 114435325
5-chloro-4-(1-cyclobutylethylamino)-2-(cyclobutylmethyl)pyridazin-3-one
CID 114443043
5-chloro-2-(cyclopropylmethyl)-4-(4-methoxybutan-2-ylamino)pyridazin-3-one
CID 114438940
5-chloro-2-(cyclobutylmethyl)-4-(1-hydroxybutan-2-ylamino)pyridazin-3-one
CID 114433171
5-chloro-2-(cyclopropylmethyl)-4-(hexan-3-ylamino)pyridazin-3-one
CID 114436822
4-bromo-2-(cyclopropylmethyl)-5-(hexan-2-ylamino)pyridazin-3-one
CID 114436921
5-chloro-2-(cyclobutylmethyl)-4-(1-methoxybutan-2-ylamino)pyridazin-3-one
CID 114438636
5-chloro-2-(cyclobutylmethyl)-4-(4-hydroxypentylamino)pyridazin-3-one
CID 106136748

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(cyclobutylmethyl)-4-(hexan-2-ylamino)pyridazin-3-one?
The IUPAC name of 5-chloro-2-(cyclobutylmethyl)-4-(hexan-2-ylamino)pyridazin-3-one (CID 114436917) is 5-chloro-2-(cyclobutylmethyl)-4-(hexan-2-ylamino)pyridazin-3-one.
What is the SMILES notation for 5-chloro-2-(cyclobutylmethyl)-4-(hexan-2-ylamino)pyridazin-3-one?
The canonical SMILES for 5-chloro-2-(cyclobutylmethyl)-4-(hexan-2-ylamino)pyridazin-3-one is CCCCC(C)Nc1c(Cl)cnn(CC2CCC2)c1=O.
What is the InChIKey of 5-chloro-2-(cyclobutylmethyl)-4-(hexan-2-ylamino)pyridazin-3-one?
The InChIKey is WMTHGWRCQPKMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O/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-chloro-2-(cyclobutylmethyl)-4-(hexan-2-ylamino)pyridazin-3-one?
5-chloro-2-(cyclobutylmethyl)-4-(hexan-2-ylamino)pyridazin-3-one has a molecular weight of 297.83 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(cyclobutylmethyl)-4-(hexan-2-ylamino)pyridazin-3-one is sourced from PubChem (CID 114436917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).