5-chloro-2-(cyclobutylmethyl)-4-(6-hydroxyhexylamino)pyridazin-3-one

C15H24ClN3O2 — CID 107850449

IUPAC5-chloro-2-(cyclobutylmethyl)-4-(6-hydroxyhexylamino)pyridazin-3-one
SMILESO=c1c(NCCCCCCO)c(Cl)cnn1CC1CCC1
InChIInChI=1S/C15H24ClN3O2/c16-13-10-18-19(11-12-6-5-7-12)15(21)14(13)17-8-3-1-2-4-9-20/h10,12,17,20H,1-9,11H2
InChIKeyWRTIQDASVKDXSK-UHFFFAOYSA-N
MW313.83 g/mol
LogP2.66
Rot. Bonds9

About 5-chloro-2-(cyclobutylmethyl)-4-(6-hydroxyhexylamino)pyridazin-3-one

5-chloro-2-(cyclobutylmethyl)-4-(6-hydroxyhexylamino)pyridazin-3-one (PubChem CID 107850449) has the molecular formula C15H24ClN3O2 and a molecular weight of 313.83 g/mol. Its IUPAC name is 5-chloro-2-(cyclobutylmethyl)-4-(6-hydroxyhexylamino)pyridazin-3-one.

Molecular Properties

Compound Name5-chloro-2-(cyclobutylmethyl)-4-(6-hydroxyhexylamino)pyridazin-3-one
PubChem CID107850449
Molecular FormulaC15H24ClN3O2
Molecular Weight313.83 g/mol
Exact Mass313.16
IUPAC Name5-chloro-2-(cyclobutylmethyl)-4-(6-hydroxyhexylamino)pyridazin-3-one
SMILESO=c1c(NCCCCCCO)c(Cl)cnn1CC1CCC1
InChIInChI=1S/C15H24ClN3O2/c16-13-10-18-19(11-12-6-5-7-12)15(21)14(13)17-8-3-1-2-4-9-20/h10,12,17,20H,1-9,11H2
InChIKeyWRTIQDASVKDXSK-UHFFFAOYSA-N
XLogP2.66
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-chloro-2-(cyclobutylmethyl)-4-[2-(3-hydroxypropylsulfanyl)ethylamino]pyridazin-3-one
CID 106311185
5-chloro-2-(cyclopropylmethyl)-4-(2-hydroxyethylamino)pyridazin-3-one
CID 114432695
5-chloro-2-(cyclobutylmethyl)-4-(4-hydroxypentylamino)pyridazin-3-one
CID 106136748
4-(butylamino)-5-chloro-2-(cyclopropylmethyl)pyridazin-3-one
CID 114432144
5-chloro-2-(cyclobutylmethyl)-4-[2-(trifluoromethylsulfanyl)ethylamino]pyridazin-3-one
CID 106430881
5-chloro-2-(cyclopropylmethyl)-4-(5,5,5-trifluoropentylamino)pyridazin-3-one
CID 114440834
4-(2-aminoethylamino)-5-chloro-2-(cyclopropylmethyl)pyridazin-3-one
CID 114444067
2-[2-[[5-chloro-2-(cyclobutylmethyl)-3-oxopyridazin-4-yl]amino]ethoxy]acetamide
CID 106239368
5-chloro-2-(cyclobutylmethyl)-4-[(3-hydroxy-4-methoxybutyl)amino]pyridazin-3-one
CID 106248172
5-chloro-2-(cyclopropylmethyl)-4-(3,3-dimethylbutylamino)pyridazin-3-one
CID 114443243
5-chloro-2-(cyclobutylmethyl)-4-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]pyridazin-3-one
CID 106248232
5-chloro-2-(cyclopropylmethyl)-4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]pyridazin-3-one
CID 107851419

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(cyclobutylmethyl)-4-(6-hydroxyhexylamino)pyridazin-3-one?
The IUPAC name of 5-chloro-2-(cyclobutylmethyl)-4-(6-hydroxyhexylamino)pyridazin-3-one (CID 107850449) is 5-chloro-2-(cyclobutylmethyl)-4-(6-hydroxyhexylamino)pyridazin-3-one.
What is the SMILES notation for 5-chloro-2-(cyclobutylmethyl)-4-(6-hydroxyhexylamino)pyridazin-3-one?
The canonical SMILES for 5-chloro-2-(cyclobutylmethyl)-4-(6-hydroxyhexylamino)pyridazin-3-one is O=c1c(NCCCCCCO)c(Cl)cnn1CC1CCC1.
What is the InChIKey of 5-chloro-2-(cyclobutylmethyl)-4-(6-hydroxyhexylamino)pyridazin-3-one?
The InChIKey is WRTIQDASVKDXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O2/c16-13-10-18-19(11-12-6-5-7-12)15(21)14(13)17-8-3-1-2-4-9-20/h10,12,17,20H,1-9,11H2.
What are the key properties of 5-chloro-2-(cyclobutylmethyl)-4-(6-hydroxyhexylamino)pyridazin-3-one?
5-chloro-2-(cyclobutylmethyl)-4-(6-hydroxyhexylamino)pyridazin-3-one has a molecular weight of 313.83 g/mol, XLogP of 2.66, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(cyclobutylmethyl)-4-(6-hydroxyhexylamino)pyridazin-3-one is sourced from PubChem (CID 107850449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).