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

C15H24ClN3O — CID 114435325

IUPAC5-chloro-2-(cyclobutylmethyl)-4-(3-methylpentan-2-ylamino)pyridazin-3-one
SMILESCCC(C)C(C)Nc1c(Cl)cnn(CC2CCC2)c1=O
InChIInChI=1S/C15H24ClN3O/c1-4-10(2)11(3)18-14-13(16)8-17-19(15(14)20)9-12-6-5-7-12/h8,10-12,18H,4-7,9H2,1-3H3
InChIKeyGLFINXPLLGGRPE-UHFFFAOYSA-N
MW297.83 g/mol
LogP3.54
Rot. Bonds6

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

5-chloro-2-(cyclobutylmethyl)-4-(3-methylpentan-2-ylamino)pyridazin-3-one (PubChem CID 114435325) has the molecular formula C15H24ClN3O and a molecular weight of 297.83 g/mol. Its IUPAC name is 5-chloro-2-(cyclobutylmethyl)-4-(3-methylpentan-2-ylamino)pyridazin-3-one.

Molecular Properties

Compound Name5-chloro-2-(cyclobutylmethyl)-4-(3-methylpentan-2-ylamino)pyridazin-3-one
PubChem CID114435325
Molecular FormulaC15H24ClN3O
Molecular Weight297.83 g/mol
Exact Mass297.16
IUPAC Name5-chloro-2-(cyclobutylmethyl)-4-(3-methylpentan-2-ylamino)pyridazin-3-one
SMILESCCC(C)C(C)Nc1c(Cl)cnn(CC2CCC2)c1=O
InChIInChI=1S/C15H24ClN3O/c1-4-10(2)11(3)18-14-13(16)8-17-19(15(14)20)9-12-6-5-7-12/h8,10-12,18H,4-7,9H2,1-3H3
InChIKeyGLFINXPLLGGRPE-UHFFFAOYSA-N
XLogP3.54
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-(cyclobutylmethyl)-4-(3-methylpentan-2-ylamino)pyridazin-3-one
CID 114435317
5-chloro-2-(cyclobutylmethyl)-4-(1-ethoxypropan-2-ylamino)pyridazin-3-one
CID 114436339
5-chloro-4-(1-cyclobutylethylamino)-2-(cyclobutylmethyl)pyridazin-3-one
CID 114443043
5-chloro-2-(cyclobutylmethyl)-4-(1-methoxybutan-2-ylamino)pyridazin-3-one
CID 114438636
5-chloro-2-(cyclobutylmethyl)-4-(1-hydroxybutan-2-ylamino)pyridazin-3-one
CID 114433171
5-chloro-2-(cyclobutylmethyl)-4-(1-cyclopropylpropan-2-ylamino)pyridazin-3-one
CID 114438346
5-chloro-2-(cyclobutylmethyl)-4-(hexan-2-ylamino)pyridazin-3-one
CID 114436917
5-bromo-2-(cyclobutylmethyl)-4-(3-ethylpentan-2-ylamino)pyridazin-3-one
CID 114438171
5-chloro-4-(1-cyclopentylethylamino)-2-(cyclopropylmethyl)pyridazin-3-one
CID 114438447
5-chloro-2-(cyclobutylmethyl)-4-[1-(oxolan-2-yl)ethylamino]pyridazin-3-one
CID 114433355
5-chloro-2-(cyclopropylmethyl)-4-(hexan-3-ylamino)pyridazin-3-one
CID 114436822
5-chloro-2-(cyclobutylmethyl)-4-[1-(1,3-thiazol-2-yl)ethylamino]pyridazin-3-one
CID 114438773

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(cyclobutylmethyl)-4-(3-methylpentan-2-ylamino)pyridazin-3-one?
The IUPAC name of 5-chloro-2-(cyclobutylmethyl)-4-(3-methylpentan-2-ylamino)pyridazin-3-one (CID 114435325) is 5-chloro-2-(cyclobutylmethyl)-4-(3-methylpentan-2-ylamino)pyridazin-3-one.
What is the SMILES notation for 5-chloro-2-(cyclobutylmethyl)-4-(3-methylpentan-2-ylamino)pyridazin-3-one?
The canonical SMILES for 5-chloro-2-(cyclobutylmethyl)-4-(3-methylpentan-2-ylamino)pyridazin-3-one is CCC(C)C(C)Nc1c(Cl)cnn(CC2CCC2)c1=O.
What is the InChIKey of 5-chloro-2-(cyclobutylmethyl)-4-(3-methylpentan-2-ylamino)pyridazin-3-one?
The InChIKey is GLFINXPLLGGRPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O/c1-4-10(2)11(3)18-14-13(16)8-17-19(15(14)20)9-12-6-5-7-12/h8,10-12,18H,4-7,9H2,1-3H3.
What are the key properties of 5-chloro-2-(cyclobutylmethyl)-4-(3-methylpentan-2-ylamino)pyridazin-3-one?
5-chloro-2-(cyclobutylmethyl)-4-(3-methylpentan-2-ylamino)pyridazin-3-one has a molecular weight of 297.83 g/mol, XLogP of 3.54, 6 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-(3-methylpentan-2-ylamino)pyridazin-3-one is sourced from PubChem (CID 114435325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).