4-chloro-2-propyl-5-(2,2,3,3-tetrafluoropropylamino)pyridazin-3-one

C10H12ClF4N3O — CID 106293940

IUPAC4-chloro-2-propyl-5-(2,2,3,3-tetrafluoropropylamino)pyridazin-3-one
SMILESCCCn1ncc(NCC(F)(F)C(F)F)c(Cl)c1=O
InChIInChI=1S/C10H12ClF4N3O/c1-2-3-18-8(19)7(11)6(4-17-18)16-5-10(14,15)9(12)13/h4,9,16H,2-3,5H2,1H3
InChIKeyKFIUJSAYFZOGIU-UHFFFAOYSA-N
MW301.67 g/mol
LogP2.62
Rot. Bonds6

About 4-chloro-2-propyl-5-(2,2,3,3-tetrafluoropropylamino)pyridazin-3-one

4-chloro-2-propyl-5-(2,2,3,3-tetrafluoropropylamino)pyridazin-3-one (PubChem CID 106293940) has the molecular formula C10H12ClF4N3O and a molecular weight of 301.67 g/mol. Its IUPAC name is 4-chloro-2-propyl-5-(2,2,3,3-tetrafluoropropylamino)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-propyl-5-(2,2,3,3-tetrafluoropropylamino)pyridazin-3-one
PubChem CID106293940
Molecular FormulaC10H12ClF4N3O
Molecular Weight301.67 g/mol
Exact Mass301.06
IUPAC Name4-chloro-2-propyl-5-(2,2,3,3-tetrafluoropropylamino)pyridazin-3-one
SMILESCCCn1ncc(NCC(F)(F)C(F)F)c(Cl)c1=O
InChIInChI=1S/C10H12ClF4N3O/c1-2-3-18-8(19)7(11)6(4-17-18)16-5-10(14,15)9(12)13/h4,9,16H,2-3,5H2,1H3
InChIKeyKFIUJSAYFZOGIU-UHFFFAOYSA-N
XLogP2.62
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.67
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-propyl-5-(2,2,3,3-tetrafluoropropylamino)pyridazin-3-one?
The IUPAC name of 4-chloro-2-propyl-5-(2,2,3,3-tetrafluoropropylamino)pyridazin-3-one (CID 106293940) is 4-chloro-2-propyl-5-(2,2,3,3-tetrafluoropropylamino)pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-propyl-5-(2,2,3,3-tetrafluoropropylamino)pyridazin-3-one?
The canonical SMILES for 4-chloro-2-propyl-5-(2,2,3,3-tetrafluoropropylamino)pyridazin-3-one is CCCn1ncc(NCC(F)(F)C(F)F)c(Cl)c1=O.
What is the InChIKey of 4-chloro-2-propyl-5-(2,2,3,3-tetrafluoropropylamino)pyridazin-3-one?
The InChIKey is KFIUJSAYFZOGIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClF4N3O/c1-2-3-18-8(19)7(11)6(4-17-18)16-5-10(14,15)9(12)13/h4,9,16H,2-3,5H2,1H3.
What are the key properties of 4-chloro-2-propyl-5-(2,2,3,3-tetrafluoropropylamino)pyridazin-3-one?
4-chloro-2-propyl-5-(2,2,3,3-tetrafluoropropylamino)pyridazin-3-one has a molecular weight of 301.67 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-propyl-5-(2,2,3,3-tetrafluoropropylamino)pyridazin-3-one is sourced from PubChem (CID 106293940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).