4-chloro-5-(1-cyclobutylethylamino)-2-propylpyridazin-3-one

C13H20ClN3O — CID 114443047

IUPAC4-chloro-5-(1-cyclobutylethylamino)-2-propylpyridazin-3-one
SMILESCCCn1ncc(NC(C)C2CCC2)c(Cl)c1=O
InChIInChI=1S/C13H20ClN3O/c1-3-7-17-13(18)12(14)11(8-15-17)16-9(2)10-5-4-6-10/h8-10,16H,3-7H2,1-2H3
InChIKeyNVWATMOYCWFASX-UHFFFAOYSA-N
MW269.78 g/mol
LogP2.91
Rot. Bonds5

About 4-chloro-5-(1-cyclobutylethylamino)-2-propylpyridazin-3-one

4-chloro-5-(1-cyclobutylethylamino)-2-propylpyridazin-3-one (PubChem CID 114443047) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is 4-chloro-5-(1-cyclobutylethylamino)-2-propylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-(1-cyclobutylethylamino)-2-propylpyridazin-3-one
PubChem CID114443047
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC Name4-chloro-5-(1-cyclobutylethylamino)-2-propylpyridazin-3-one
SMILESCCCn1ncc(NC(C)C2CCC2)c(Cl)c1=O
InChIInChI=1S/C13H20ClN3O/c1-3-7-17-13(18)12(14)11(8-15-17)16-9(2)10-5-4-6-10/h8-10,16H,3-7H2,1-2H3
InChIKeyNVWATMOYCWFASX-UHFFFAOYSA-N
XLogP2.91
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-5-(1-cyclohexylethylamino)-2-ethylpyridazin-3-one
CID 114437060
4-chloro-5-(1-cyclopentylethylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 114438468
4-chloro-5-(1-cyclopropylethylamino)-2-(2-hydroxyethyl)pyridazin-3-one
CID 114433340
4-bromo-5-(1-cyclopentylethylamino)-2-propylpyridazin-3-one
CID 114438460
2-benzyl-4-chloro-5-(1-cyclobutylethylamino)pyridazin-3-one
CID 133417909
4-chloro-5-(3-methylpentan-2-ylamino)-2-propylpyridazin-3-one
CID 114435329
4-chloro-5-(5-methylhexan-2-ylamino)-2-propylpyridazin-3-one
CID 114438256
4-chloro-5-(1-hydroxypropan-2-ylamino)-2-propylpyridazin-3-one
CID 114433229
2-butyl-4-chloro-5-(propan-2-ylamino)pyridazin-3-one
CID 114431308
4-chloro-5-(1-piperidin-1-ylpropan-2-ylamino)-2-propylpyridazin-3-one
CID 114435760
4-chloro-5-(1-methylsulfanylpropan-2-ylamino)-2-propylpyridazin-3-one
CID 114442160
2-[(5-chloro-6-oxo-1-propylpyridazin-4-yl)amino]-N-propan-2-ylpropanamide
CID 114441510

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(1-cyclobutylethylamino)-2-propylpyridazin-3-one?
The IUPAC name of 4-chloro-5-(1-cyclobutylethylamino)-2-propylpyridazin-3-one (CID 114443047) is 4-chloro-5-(1-cyclobutylethylamino)-2-propylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-(1-cyclobutylethylamino)-2-propylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-(1-cyclobutylethylamino)-2-propylpyridazin-3-one is CCCn1ncc(NC(C)C2CCC2)c(Cl)c1=O.
What is the InChIKey of 4-chloro-5-(1-cyclobutylethylamino)-2-propylpyridazin-3-one?
The InChIKey is NVWATMOYCWFASX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c1-3-7-17-13(18)12(14)11(8-15-17)16-9(2)10-5-4-6-10/h8-10,16H,3-7H2,1-2H3.
What are the key properties of 4-chloro-5-(1-cyclobutylethylamino)-2-propylpyridazin-3-one?
4-chloro-5-(1-cyclobutylethylamino)-2-propylpyridazin-3-one has a molecular weight of 269.78 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(1-cyclobutylethylamino)-2-propylpyridazin-3-one is sourced from PubChem (CID 114443047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).