5-chloro-2-(cyclobutylmethyl)-4-(1-hydroxybutan-2-ylamino)pyridazin-3-one

C13H20ClN3O2 — CID 114433171

IUPAC5-chloro-2-(cyclobutylmethyl)-4-(1-hydroxybutan-2-ylamino)pyridazin-3-one
SMILESCCC(CO)Nc1c(Cl)cnn(CC2CCC2)c1=O
InChIInChI=1S/C13H20ClN3O2/c1-2-10(8-18)16-12-11(14)6-15-17(13(12)19)7-9-4-3-5-9/h6,9-10,16,18H,2-5,7-8H2,1H3
InChIKeyDBNRYBMNMAQWSB-UHFFFAOYSA-N
MW285.77 g/mol
LogP1.88
Rot. Bonds6

About 5-chloro-2-(cyclobutylmethyl)-4-(1-hydroxybutan-2-ylamino)pyridazin-3-one

5-chloro-2-(cyclobutylmethyl)-4-(1-hydroxybutan-2-ylamino)pyridazin-3-one (PubChem CID 114433171) has the molecular formula C13H20ClN3O2 and a molecular weight of 285.77 g/mol. Its IUPAC name is 5-chloro-2-(cyclobutylmethyl)-4-(1-hydroxybutan-2-ylamino)pyridazin-3-one.

Molecular Properties

Compound Name5-chloro-2-(cyclobutylmethyl)-4-(1-hydroxybutan-2-ylamino)pyridazin-3-one
PubChem CID114433171
Molecular FormulaC13H20ClN3O2
Molecular Weight285.77 g/mol
Exact Mass285.12
IUPAC Name5-chloro-2-(cyclobutylmethyl)-4-(1-hydroxybutan-2-ylamino)pyridazin-3-one
SMILESCCC(CO)Nc1c(Cl)cnn(CC2CCC2)c1=O
InChIInChI=1S/C13H20ClN3O2/c1-2-10(8-18)16-12-11(14)6-15-17(13(12)19)7-9-4-3-5-9/h6,9-10,16,18H,2-5,7-8H2,1H3
InChIKeyDBNRYBMNMAQWSB-UHFFFAOYSA-N
XLogP1.88
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-chloro-2-(cyclobutylmethyl)-4-(1-hydroxybutan-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-chloro-2-(cyclobutylmethyl)-4-(1-methoxybutan-2-ylamino)pyridazin-3-one
CID 114438636
5-chloro-2-(cyclopropylmethyl)-4-(hexan-3-ylamino)pyridazin-3-one
CID 114436822
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-(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-(hexan-2-ylamino)pyridazin-3-one
CID 114436917
5-chloro-2-(cyclobutylmethyl)-4-[1-(oxolan-2-yl)ethylamino]pyridazin-3-one
CID 114433355
5-chloro-2-(cyclopropylmethyl)-4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]pyridazin-3-one
CID 107851419
5-chloro-4-(1-cyclopentylethylamino)-2-(cyclopropylmethyl)pyridazin-3-one
CID 114438447
5-chloro-2-(cyclopropylmethyl)-4-(dicyclopropylmethylamino)pyridazin-3-one
CID 114435680
5-chloro-2-(cyclobutylmethyl)-4-[2-(3-hydroxypropylsulfanyl)ethylamino]pyridazin-3-one
CID 106311185

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(cyclobutylmethyl)-4-(1-hydroxybutan-2-ylamino)pyridazin-3-one?
The IUPAC name of 5-chloro-2-(cyclobutylmethyl)-4-(1-hydroxybutan-2-ylamino)pyridazin-3-one (CID 114433171) is 5-chloro-2-(cyclobutylmethyl)-4-(1-hydroxybutan-2-ylamino)pyridazin-3-one.
What is the SMILES notation for 5-chloro-2-(cyclobutylmethyl)-4-(1-hydroxybutan-2-ylamino)pyridazin-3-one?
The canonical SMILES for 5-chloro-2-(cyclobutylmethyl)-4-(1-hydroxybutan-2-ylamino)pyridazin-3-one is CCC(CO)Nc1c(Cl)cnn(CC2CCC2)c1=O.
What is the InChIKey of 5-chloro-2-(cyclobutylmethyl)-4-(1-hydroxybutan-2-ylamino)pyridazin-3-one?
The InChIKey is DBNRYBMNMAQWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O2/c1-2-10(8-18)16-12-11(14)6-15-17(13(12)19)7-9-4-3-5-9/h6,9-10,16,18H,2-5,7-8H2,1H3.
What are the key properties of 5-chloro-2-(cyclobutylmethyl)-4-(1-hydroxybutan-2-ylamino)pyridazin-3-one?
5-chloro-2-(cyclobutylmethyl)-4-(1-hydroxybutan-2-ylamino)pyridazin-3-one has a molecular weight of 285.77 g/mol, XLogP of 1.88, 6 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-(1-hydroxybutan-2-ylamino)pyridazin-3-one is sourced from PubChem (CID 114433171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).