4-chloro-5-(3-imidazol-1-ylpropylamino)-2-propylpyridazin-3-one

C13H18ClN5O — CID 114432838

IUPAC4-chloro-5-(3-imidazol-1-ylpropylamino)-2-propylpyridazin-3-one
SMILESCCCn1ncc(NCCCn2ccnc2)c(Cl)c1=O
InChIInChI=1S/C13H18ClN5O/c1-2-6-19-13(20)12(14)11(9-17-19)16-4-3-7-18-8-5-15-10-18/h5,8-10,16H,2-4,6-7H2,1H3
InChIKeyZJDOJWUGKIPEDF-UHFFFAOYSA-N
MW295.77 g/mol
LogP2.01
Rot. Bonds7

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

4-chloro-5-(3-imidazol-1-ylpropylamino)-2-propylpyridazin-3-one (PubChem CID 114432838) has the molecular formula C13H18ClN5O and a molecular weight of 295.77 g/mol. Its IUPAC name is 4-chloro-5-(3-imidazol-1-ylpropylamino)-2-propylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-(3-imidazol-1-ylpropylamino)-2-propylpyridazin-3-one
PubChem CID114432838
Molecular FormulaC13H18ClN5O
Molecular Weight295.77 g/mol
Exact Mass295.12
IUPAC Name4-chloro-5-(3-imidazol-1-ylpropylamino)-2-propylpyridazin-3-one
SMILESCCCn1ncc(NCCCn2ccnc2)c(Cl)c1=O
InChIInChI=1S/C13H18ClN5O/c1-2-6-19-13(20)12(14)11(9-17-19)16-4-3-7-18-8-5-15-10-18/h5,8-10,16H,2-4,6-7H2,1H3
InChIKeyZJDOJWUGKIPEDF-UHFFFAOYSA-N
XLogP2.01
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-5-(3-imidazol-1-ylpropylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 114432842
4-chloro-5-(3-imidazol-1-ylpropylamino)-2-prop-2-enylpyridazin-3-one
CID 114432833
4-chloro-5-(4-imidazol-1-ylbutylamino)-2-propan-2-ylpyridazin-3-one
CID 114436584
2-butyl-4-chloro-5-(pentylamino)pyridazin-3-one
CID 114432168
2-[(5-chloro-6-oxo-1-propylpyridazin-4-yl)amino]-N-methylethanesulfonamide
CID 106337789
5-chloro-4-(3-imidazol-1-ylpropylamino)-1H-pyridazin-6-one
CID 78913344
4-chloro-5-(3-hydroxybutylamino)-2-propylpyridazin-3-one
CID 114439110
4-chloro-5-[2-(2-methylpyrazol-3-yl)ethylamino]-2-propylpyridazin-3-one
CID 103007686
2-butyl-4-chloro-5-(2-hydroxyethylamino)pyridazin-3-one
CID 114432696
2-butyl-4-chloro-5-[2-(methylamino)ethylamino]pyridazin-3-one
CID 114444552
2-butyl-4-chloro-5-(4-methylpentylamino)pyridazin-3-one
CID 114434651
2-butyl-4-chloro-5-(3,3,3-trifluoropropylamino)pyridazin-3-one
CID 114437610

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(3-imidazol-1-ylpropylamino)-2-propylpyridazin-3-one?
The IUPAC name of 4-chloro-5-(3-imidazol-1-ylpropylamino)-2-propylpyridazin-3-one (CID 114432838) is 4-chloro-5-(3-imidazol-1-ylpropylamino)-2-propylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-(3-imidazol-1-ylpropylamino)-2-propylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-(3-imidazol-1-ylpropylamino)-2-propylpyridazin-3-one is CCCn1ncc(NCCCn2ccnc2)c(Cl)c1=O.
What is the InChIKey of 4-chloro-5-(3-imidazol-1-ylpropylamino)-2-propylpyridazin-3-one?
The InChIKey is ZJDOJWUGKIPEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN5O/c1-2-6-19-13(20)12(14)11(9-17-19)16-4-3-7-18-8-5-15-10-18/h5,8-10,16H,2-4,6-7H2,1H3.
What are the key properties of 4-chloro-5-(3-imidazol-1-ylpropylamino)-2-propylpyridazin-3-one?
4-chloro-5-(3-imidazol-1-ylpropylamino)-2-propylpyridazin-3-one has a molecular weight of 295.77 g/mol, XLogP of 2.01, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(3-imidazol-1-ylpropylamino)-2-propylpyridazin-3-one is sourced from PubChem (CID 114432838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).