5-chloro-4-(4-hydroxybutylamino)-1H-pyridazin-6-one

C8H12ClN3O2 — CID 106842784

IUPAC5-chloro-4-(4-hydroxybutylamino)-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(NCCCCO)c1Cl
InChIInChI=1S/C8H12ClN3O2/c9-7-6(5-11-12-8(7)14)10-3-1-2-4-13/h5,13H,1-4H2,(H2,10,12,14)
InChIKeyXITZWLJSLFFVAY-UHFFFAOYSA-N
MW217.66 g/mol
LogP0.61
Rot. Bonds5

About 5-chloro-4-(4-hydroxybutylamino)-1H-pyridazin-6-one

5-chloro-4-(4-hydroxybutylamino)-1H-pyridazin-6-one (PubChem CID 106842784) has the molecular formula C8H12ClN3O2 and a molecular weight of 217.66 g/mol. Its IUPAC name is 5-chloro-4-(4-hydroxybutylamino)-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-(4-hydroxybutylamino)-1H-pyridazin-6-one
PubChem CID106842784
Molecular FormulaC8H12ClN3O2
Molecular Weight217.66 g/mol
Exact Mass217.06
IUPAC Name5-chloro-4-(4-hydroxybutylamino)-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(NCCCCO)c1Cl
InChIInChI=1S/C8H12ClN3O2/c9-7-6(5-11-12-8(7)14)10-3-1-2-4-13/h5,13H,1-4H2,(H2,10,12,14)
InChIKeyXITZWLJSLFFVAY-UHFFFAOYSA-N
XLogP0.61
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.66
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-4-(5-hydroxypentylamino)-1H-pyridazin-6-one
CID 107318148
5-chloro-4-(3-methylsulfinylpropylamino)-1H-pyridazin-6-one
CID 115631406
ethyl 4-[(5-chloro-6-oxo-1H-pyridazin-4-yl)amino]butanoate
CID 78913338
5-chloro-4-(3,3,3-trifluoropropylamino)-1H-pyridazin-6-one
CID 79033828
4-(but-3-ynylamino)-5-chloro-1H-pyridazin-6-one
CID 78959225
4-(2-tert-butylsulfanylethylamino)-5-chloro-1H-pyridazin-6-one
CID 133275925
5-chloro-4-(3-imidazol-1-ylpropylamino)-1H-pyridazin-6-one
CID 78913344
2-[(5-chloro-6-oxo-1H-pyridazin-4-yl)amino]-N,N-dimethylethanesulfonamide
CID 114175492
5-chloro-4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1H-pyridazin-6-one
CID 79479518
5-chloro-4-(2,2-difluoroethylamino)-1H-pyridazin-6-one
CID 79098505
5-chloro-4-(2,2,2-trifluoroethylamino)-1H-pyridazin-6-one
CID 80746939
5-chloro-4-(prop-2-ynylamino)-1H-pyridazin-6-one
CID 78913319

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(4-hydroxybutylamino)-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-(4-hydroxybutylamino)-1H-pyridazin-6-one (CID 106842784) is 5-chloro-4-(4-hydroxybutylamino)-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-(4-hydroxybutylamino)-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-(4-hydroxybutylamino)-1H-pyridazin-6-one is O=c1[nH]ncc(NCCCCO)c1Cl.
What is the InChIKey of 5-chloro-4-(4-hydroxybutylamino)-1H-pyridazin-6-one?
The InChIKey is XITZWLJSLFFVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3O2/c9-7-6(5-11-12-8(7)14)10-3-1-2-4-13/h5,13H,1-4H2,(H2,10,12,14).
What are the key properties of 5-chloro-4-(4-hydroxybutylamino)-1H-pyridazin-6-one?
5-chloro-4-(4-hydroxybutylamino)-1H-pyridazin-6-one has a molecular weight of 217.66 g/mol, XLogP of 0.61, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(4-hydroxybutylamino)-1H-pyridazin-6-one is sourced from PubChem (CID 106842784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).