4-chloro-5-(3-fluoropropylamino)-2-(2-methylpropyl)pyridazin-3-one

C11H17ClFN3O — CID 114266993

IUPAC4-chloro-5-(3-fluoropropylamino)-2-(2-methylpropyl)pyridazin-3-one
SMILESCC(C)Cn1ncc(NCCCF)c(Cl)c1=O
InChIInChI=1S/C11H17ClFN3O/c1-8(2)7-16-11(17)10(12)9(6-15-16)14-5-3-4-13/h6,8,14H,3-5,7H2,1-2H3
InChIKeyFHJGPWNYALRVGW-UHFFFAOYSA-N
MW261.73 g/mol
LogP2.32
Rot. Bonds6

About 4-chloro-5-(3-fluoropropylamino)-2-(2-methylpropyl)pyridazin-3-one

4-chloro-5-(3-fluoropropylamino)-2-(2-methylpropyl)pyridazin-3-one (PubChem CID 114266993) has the molecular formula C11H17ClFN3O and a molecular weight of 261.73 g/mol. Its IUPAC name is 4-chloro-5-(3-fluoropropylamino)-2-(2-methylpropyl)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-(3-fluoropropylamino)-2-(2-methylpropyl)pyridazin-3-one
PubChem CID114266993
Molecular FormulaC11H17ClFN3O
Molecular Weight261.73 g/mol
Exact Mass261.10
IUPAC Name4-chloro-5-(3-fluoropropylamino)-2-(2-methylpropyl)pyridazin-3-one
SMILESCC(C)Cn1ncc(NCCCF)c(Cl)c1=O
InChIInChI=1S/C11H17ClFN3O/c1-8(2)7-16-11(17)10(12)9(6-15-16)14-5-3-4-13/h6,8,14H,3-5,7H2,1-2H3
InChIKeyFHJGPWNYALRVGW-UHFFFAOYSA-N
XLogP2.32
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.73
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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
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
4-chloro-5-(3-imidazol-1-ylpropylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 114432842
N-[2-[[5-chloro-1-(2-methylpropyl)-6-oxopyridazin-4-yl]amino]ethyl]methanesulfonamide
CID 114433515
4-chloro-2-(2-methylpropyl)-5-(2-phenylethylamino)pyridazin-3-one
CID 114432372
4-chloro-2-(2-methylpropyl)-5-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridazin-3-one
CID 114440008
4-chloro-5-[2-(2-methoxyethoxy)ethylamino]-2-(2-methylpropyl)pyridazin-3-one
CID 114436398
4-chloro-5-(2-cyclopentylethylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 114434019
3-[[5-chloro-1-(2-methylpropyl)-6-oxopyridazin-4-yl]amino]-N,N-dimethylpropanamide
CID 114434114
4-chloro-2-ethyl-5-(5-methylhexylamino)pyridazin-3-one
CID 114440676

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(3-fluoropropylamino)-2-(2-methylpropyl)pyridazin-3-one?
The IUPAC name of 4-chloro-5-(3-fluoropropylamino)-2-(2-methylpropyl)pyridazin-3-one (CID 114266993) is 4-chloro-5-(3-fluoropropylamino)-2-(2-methylpropyl)pyridazin-3-one.
What is the SMILES notation for 4-chloro-5-(3-fluoropropylamino)-2-(2-methylpropyl)pyridazin-3-one?
The canonical SMILES for 4-chloro-5-(3-fluoropropylamino)-2-(2-methylpropyl)pyridazin-3-one is CC(C)Cn1ncc(NCCCF)c(Cl)c1=O.
What is the InChIKey of 4-chloro-5-(3-fluoropropylamino)-2-(2-methylpropyl)pyridazin-3-one?
The InChIKey is FHJGPWNYALRVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClFN3O/c1-8(2)7-16-11(17)10(12)9(6-15-16)14-5-3-4-13/h6,8,14H,3-5,7H2,1-2H3.
What are the key properties of 4-chloro-5-(3-fluoropropylamino)-2-(2-methylpropyl)pyridazin-3-one?
4-chloro-5-(3-fluoropropylamino)-2-(2-methylpropyl)pyridazin-3-one has a molecular weight of 261.73 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(3-fluoropropylamino)-2-(2-methylpropyl)pyridazin-3-one is sourced from PubChem (CID 114266993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).