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

C14H20ClN5O — CID 114432842

IUPAC4-chloro-5-(3-imidazol-1-ylpropylamino)-2-(2-methylpropyl)pyridazin-3-one
SMILESCC(C)Cn1ncc(NCCCn2ccnc2)c(Cl)c1=O
InChIInChI=1S/C14H20ClN5O/c1-11(2)9-20-14(21)13(15)12(8-18-20)17-4-3-6-19-7-5-16-10-19/h5,7-8,10-11,17H,3-4,6,9H2,1-2H3
InChIKeyXGMZALCVGONBNS-UHFFFAOYSA-N
MW309.80 g/mol
LogP2.25
Rot. Bonds7

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

4-chloro-5-(3-imidazol-1-ylpropylamino)-2-(2-methylpropyl)pyridazin-3-one (PubChem CID 114432842) has the molecular formula C14H20ClN5O and a molecular weight of 309.80 g/mol. Its IUPAC name is 4-chloro-5-(3-imidazol-1-ylpropylamino)-2-(2-methylpropyl)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-(3-imidazol-1-ylpropylamino)-2-(2-methylpropyl)pyridazin-3-one
PubChem CID114432842
Molecular FormulaC14H20ClN5O
Molecular Weight309.80 g/mol
Exact Mass309.14
IUPAC Name4-chloro-5-(3-imidazol-1-ylpropylamino)-2-(2-methylpropyl)pyridazin-3-one
SMILESCC(C)Cn1ncc(NCCCn2ccnc2)c(Cl)c1=O
InChIInChI=1S/C14H20ClN5O/c1-11(2)9-20-14(21)13(15)12(8-18-20)17-4-3-6-19-7-5-16-10-19/h5,7-8,10-11,17H,3-4,6,9H2,1-2H3
InChIKeyXGMZALCVGONBNS-UHFFFAOYSA-N
XLogP2.25
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 52.25
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-propylpyridazin-3-one
CID 114432838
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
4-chloro-5-(3-fluoropropylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 114266993
4-bromo-5-(2-imidazol-1-ylethylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 114435124
4-chloro-5-(4-hydroxypentylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 106136715
4-chloro-5-[3-[methyl(propan-2-yl)amino]propylamino]-2-(2-methylpropyl)pyridazin-3-one
CID 106048521
N-[2-[[5-chloro-1-(2-methylpropyl)-6-oxopyridazin-4-yl]amino]ethyl]methanesulfonamide
CID 114433515
4-chloro-5-(ethylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 114431758
4-chloro-5-[2-(ethylamino)ethylamino]-2-(2-methylpropyl)pyridazin-3-one
CID 114444576
5-chloro-4-(3-imidazol-1-ylpropylamino)-1H-pyridazin-6-one
CID 78913344
4-chloro-2-(2-methylpropyl)-5-(2-phenylethylamino)pyridazin-3-one
CID 114432372

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(3-imidazol-1-ylpropylamino)-2-(2-methylpropyl)pyridazin-3-one?
The IUPAC name of 4-chloro-5-(3-imidazol-1-ylpropylamino)-2-(2-methylpropyl)pyridazin-3-one (CID 114432842) is 4-chloro-5-(3-imidazol-1-ylpropylamino)-2-(2-methylpropyl)pyridazin-3-one.
What is the SMILES notation for 4-chloro-5-(3-imidazol-1-ylpropylamino)-2-(2-methylpropyl)pyridazin-3-one?
The canonical SMILES for 4-chloro-5-(3-imidazol-1-ylpropylamino)-2-(2-methylpropyl)pyridazin-3-one is CC(C)Cn1ncc(NCCCn2ccnc2)c(Cl)c1=O.
What is the InChIKey of 4-chloro-5-(3-imidazol-1-ylpropylamino)-2-(2-methylpropyl)pyridazin-3-one?
The InChIKey is XGMZALCVGONBNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN5O/c1-11(2)9-20-14(21)13(15)12(8-18-20)17-4-3-6-19-7-5-16-10-19/h5,7-8,10-11,17H,3-4,6,9H2,1-2H3.
What are the key properties of 4-chloro-5-(3-imidazol-1-ylpropylamino)-2-(2-methylpropyl)pyridazin-3-one?
4-chloro-5-(3-imidazol-1-ylpropylamino)-2-(2-methylpropyl)pyridazin-3-one has a molecular weight of 309.80 g/mol, XLogP of 2.25, 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-(2-methylpropyl)pyridazin-3-one is sourced from PubChem (CID 114432842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).