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

C15H22ClN3O — CID 114438346

IUPAC5-chloro-2-(cyclobutylmethyl)-4-(1-cyclopropylpropan-2-ylamino)pyridazin-3-one
SMILESCC(CC1CC1)Nc1c(Cl)cnn(CC2CCC2)c1=O
InChIInChI=1S/C15H22ClN3O/c1-10(7-11-5-6-11)18-14-13(16)8-17-19(15(14)20)9-12-3-2-4-12/h8,10-12,18H,2-7,9H2,1H3
InChIKeyATGPMOMNTIHMFN-UHFFFAOYSA-N
MW295.81 g/mol
LogP3.30
Rot. Bonds6

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

5-chloro-2-(cyclobutylmethyl)-4-(1-cyclopropylpropan-2-ylamino)pyridazin-3-one (PubChem CID 114438346) has the molecular formula C15H22ClN3O and a molecular weight of 295.81 g/mol. Its IUPAC name is 5-chloro-2-(cyclobutylmethyl)-4-(1-cyclopropylpropan-2-ylamino)pyridazin-3-one.

Molecular Properties

Compound Name5-chloro-2-(cyclobutylmethyl)-4-(1-cyclopropylpropan-2-ylamino)pyridazin-3-one
PubChem CID114438346
Molecular FormulaC15H22ClN3O
Molecular Weight295.81 g/mol
Exact Mass295.15
IUPAC Name5-chloro-2-(cyclobutylmethyl)-4-(1-cyclopropylpropan-2-ylamino)pyridazin-3-one
SMILESCC(CC1CC1)Nc1c(Cl)cnn(CC2CCC2)c1=O
InChIInChI=1S/C15H22ClN3O/c1-10(7-11-5-6-11)18-14-13(16)8-17-19(15(14)20)9-12-3-2-4-12/h8,10-12,18H,2-7,9H2,1H3
InChIKeyATGPMOMNTIHMFN-UHFFFAOYSA-N
XLogP3.30
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-(1-cyclobutylethylamino)-2-(cyclobutylmethyl)pyridazin-3-one
CID 114443043
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-4-(1-cyclopentylethylamino)-2-(cyclopropylmethyl)pyridazin-3-one
CID 114438447
5-chloro-2-(cyclobutylmethyl)-4-(3-methylpentan-2-ylamino)pyridazin-3-one
CID 114435325
5-chloro-2-(cyclopropylmethyl)-4-(4-methoxybutan-2-ylamino)pyridazin-3-one
CID 114438940
5-chloro-2-(cyclopropylmethyl)-4-(dicyclopropylmethylamino)pyridazin-3-one
CID 114435680
5-chloro-2-(cyclobutylmethyl)-4-(1-hydroxybutan-2-ylamino)pyridazin-3-one
CID 114433171
5-chloro-2-(cyclobutylmethyl)-4-[1-(oxolan-2-yl)ethylamino]pyridazin-3-one
CID 114433355
5-chloro-2-(cyclopropylmethyl)-4-(1-imidazol-1-ylpropan-2-ylamino)pyridazin-3-one
CID 114435707
2-[[5-chloro-2-(cyclopropylmethyl)-3-oxopyridazin-4-yl]amino]-N-methylpropanamide
CID 114435337
5-chloro-2-(cyclopropylmethyl)-4-(1-phenylethylamino)pyridazin-3-one
CID 114431879

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(cyclobutylmethyl)-4-(1-cyclopropylpropan-2-ylamino)pyridazin-3-one?
The IUPAC name of 5-chloro-2-(cyclobutylmethyl)-4-(1-cyclopropylpropan-2-ylamino)pyridazin-3-one (CID 114438346) is 5-chloro-2-(cyclobutylmethyl)-4-(1-cyclopropylpropan-2-ylamino)pyridazin-3-one.
What is the SMILES notation for 5-chloro-2-(cyclobutylmethyl)-4-(1-cyclopropylpropan-2-ylamino)pyridazin-3-one?
The canonical SMILES for 5-chloro-2-(cyclobutylmethyl)-4-(1-cyclopropylpropan-2-ylamino)pyridazin-3-one is CC(CC1CC1)Nc1c(Cl)cnn(CC2CCC2)c1=O.
What is the InChIKey of 5-chloro-2-(cyclobutylmethyl)-4-(1-cyclopropylpropan-2-ylamino)pyridazin-3-one?
The InChIKey is ATGPMOMNTIHMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O/c1-10(7-11-5-6-11)18-14-13(16)8-17-19(15(14)20)9-12-3-2-4-12/h8,10-12,18H,2-7,9H2,1H3.
What are the key properties of 5-chloro-2-(cyclobutylmethyl)-4-(1-cyclopropylpropan-2-ylamino)pyridazin-3-one?
5-chloro-2-(cyclobutylmethyl)-4-(1-cyclopropylpropan-2-ylamino)pyridazin-3-one has a molecular weight of 295.81 g/mol, XLogP of 3.30, 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-(1-cyclopropylpropan-2-ylamino)pyridazin-3-one is sourced from PubChem (CID 114438346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).