5-chloro-4-(3-imidazol-1-ylpropylamino)-1H-pyridazin-6-one

C10H12ClN5O — CID 78913344

IUPAC5-chloro-4-(3-imidazol-1-ylpropylamino)-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(NCCCn2ccnc2)c1Cl
InChIInChI=1S/C10H12ClN5O/c11-9-8(6-14-15-10(9)17)13-2-1-4-16-5-3-12-7-16/h3,5-7H,1-2,4H2,(H2,13,15,17)
InChIKeyXOTWCGYMUUQUEM-UHFFFAOYSA-N
MW253.69 g/mol
LogP1.12
Rot. Bonds5

About 5-chloro-4-(3-imidazol-1-ylpropylamino)-1H-pyridazin-6-one

5-chloro-4-(3-imidazol-1-ylpropylamino)-1H-pyridazin-6-one (PubChem CID 78913344) has the molecular formula C10H12ClN5O and a molecular weight of 253.69 g/mol. Its IUPAC name is 5-chloro-4-(3-imidazol-1-ylpropylamino)-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-(3-imidazol-1-ylpropylamino)-1H-pyridazin-6-one
PubChem CID78913344
Molecular FormulaC10H12ClN5O
Molecular Weight253.69 g/mol
Exact Mass253.07
IUPAC Name5-chloro-4-(3-imidazol-1-ylpropylamino)-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(NCCCn2ccnc2)c1Cl
InChIInChI=1S/C10H12ClN5O/c11-9-8(6-14-15-10(9)17)13-2-1-4-16-5-3-12-7-16/h3,5-7H,1-2,4H2,(H2,13,15,17)
InChIKeyXOTWCGYMUUQUEM-UHFFFAOYSA-N
XLogP1.12
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.69
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-chloro-4-(3-imidazol-1-ylpropylamino)-1H-pyridazin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-4-(2-imidazol-1-ylethylamino)-1H-pyridazin-6-one
CID 115576990
4-chloro-5-(3-imidazol-1-ylpropylamino)-2-propylpyridazin-3-one
CID 114432838
4-chloro-5-(3-imidazol-1-ylpropylamino)-2-prop-2-enylpyridazin-3-one
CID 114432833
4-chloro-5-(3-imidazol-1-ylpropylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 114432842
4-(4-imidazol-1-ylbutylamino)-1H-pyridazin-6-one
CID 114392088
4-chloro-5-(4-imidazol-1-ylbutylamino)-2-propan-2-ylpyridazin-3-one
CID 114436584
2-[(5-chloro-6-oxo-1H-pyridazin-4-yl)amino]-N,N-diethylethanesulfonamide
CID 133292970
8-(3-imidazol-1-ylpropylamino)-6-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 71002969
3-chloro-1-N-(3-imidazol-1-ylpropyl)benzene-1,2-diamine
CID 104833984
5-chloro-4-(2-imidazol-1-ylethylamino)-1H-pyrimidin-6-one
CID 136974702
2,3,4,5,6-pentafluoro-N-(3-imidazol-1-ylpropyl)aniline
CID 28826187
5-chloro-4-(2,2,2-trifluoroethylamino)-1H-pyridazin-6-one
CID 80746939

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(3-imidazol-1-ylpropylamino)-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-(3-imidazol-1-ylpropylamino)-1H-pyridazin-6-one (CID 78913344) is 5-chloro-4-(3-imidazol-1-ylpropylamino)-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-(3-imidazol-1-ylpropylamino)-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-(3-imidazol-1-ylpropylamino)-1H-pyridazin-6-one is O=c1[nH]ncc(NCCCn2ccnc2)c1Cl.
What is the InChIKey of 5-chloro-4-(3-imidazol-1-ylpropylamino)-1H-pyridazin-6-one?
The InChIKey is XOTWCGYMUUQUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN5O/c11-9-8(6-14-15-10(9)17)13-2-1-4-16-5-3-12-7-16/h3,5-7H,1-2,4H2,(H2,13,15,17).
What are the key properties of 5-chloro-4-(3-imidazol-1-ylpropylamino)-1H-pyridazin-6-one?
5-chloro-4-(3-imidazol-1-ylpropylamino)-1H-pyridazin-6-one has a molecular weight of 253.69 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(3-imidazol-1-ylpropylamino)-1H-pyridazin-6-one is sourced from PubChem (CID 78913344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).