5-chloro-4-[2-(2,2-difluoroethoxy)ethylamino]-1H-pyridazin-6-one

C8H10ClF2N3O2 — CID 103081442

IUPAC5-chloro-4-[2-(2,2-difluoroethoxy)ethylamino]-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(NCCOCC(F)F)c1Cl
InChIInChI=1S/C8H10ClF2N3O2/c9-7-5(3-13-14-8(7)15)12-1-2-16-4-6(10)11/h3,6H,1-2,4H2,(H2,12,14,15)
InChIKeyCXFWJLAYNFIKOY-UHFFFAOYSA-N
MW253.64 g/mol
LogP1.12
Rot. Bonds6

About 5-chloro-4-[2-(2,2-difluoroethoxy)ethylamino]-1H-pyridazin-6-one

5-chloro-4-[2-(2,2-difluoroethoxy)ethylamino]-1H-pyridazin-6-one (PubChem CID 103081442) has the molecular formula C8H10ClF2N3O2 and a molecular weight of 253.64 g/mol. Its IUPAC name is 5-chloro-4-[2-(2,2-difluoroethoxy)ethylamino]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[2-(2,2-difluoroethoxy)ethylamino]-1H-pyridazin-6-one
PubChem CID103081442
Molecular FormulaC8H10ClF2N3O2
Molecular Weight253.64 g/mol
Exact Mass253.04
IUPAC Name5-chloro-4-[2-(2,2-difluoroethoxy)ethylamino]-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(NCCOCC(F)F)c1Cl
InChIInChI=1S/C8H10ClF2N3O2/c9-7-5(3-13-14-8(7)15)12-1-2-16-4-6(10)11/h3,6H,1-2,4H2,(H2,12,14,15)
InChIKeyCXFWJLAYNFIKOY-UHFFFAOYSA-N
XLogP1.12
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.64
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-4-[2-(2-methylpropoxy)ethylamino]-1H-pyridazin-6-one
CID 115586247
5-chloro-4-(2,2-difluoroethylamino)-1H-pyridazin-6-one
CID 79098505
5-chloro-4-(3,3,3-trifluoropropylamino)-1H-pyridazin-6-one
CID 79033828
5-chloro-4-(4-hydroxybutylamino)-1H-pyridazin-6-one
CID 106842784
4-(but-3-ynylamino)-5-chloro-1H-pyridazin-6-one
CID 78959225
4-chloro-5-[2-(2,2-difluoroethoxy)ethylamino]-2-(2-methoxyethyl)pyridazin-3-one
CID 103081526
5-chloro-4-(2,2,2-trifluoroethylamino)-1H-pyridazin-6-one
CID 80746939
4-(2-tert-butylsulfanylethylamino)-5-chloro-1H-pyridazin-6-one
CID 133275925
5-chloro-4-(3-methylsulfinylpropylamino)-1H-pyridazin-6-one
CID 115631406
2-[(5-chloro-6-oxo-1H-pyridazin-4-yl)amino]-N,N-dimethylethanesulfonamide
CID 114175492
5-chloro-4-(prop-2-ynylamino)-1H-pyridazin-6-one
CID 78913319
5-chloro-4-(2,3,3-trimethylbutylamino)-1H-pyridazin-6-one
CID 78966968

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[2-(2,2-difluoroethoxy)ethylamino]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[2-(2,2-difluoroethoxy)ethylamino]-1H-pyridazin-6-one (CID 103081442) is 5-chloro-4-[2-(2,2-difluoroethoxy)ethylamino]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[2-(2,2-difluoroethoxy)ethylamino]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[2-(2,2-difluoroethoxy)ethylamino]-1H-pyridazin-6-one is O=c1[nH]ncc(NCCOCC(F)F)c1Cl.
What is the InChIKey of 5-chloro-4-[2-(2,2-difluoroethoxy)ethylamino]-1H-pyridazin-6-one?
The InChIKey is CXFWJLAYNFIKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClF2N3O2/c9-7-5(3-13-14-8(7)15)12-1-2-16-4-6(10)11/h3,6H,1-2,4H2,(H2,12,14,15).
What are the key properties of 5-chloro-4-[2-(2,2-difluoroethoxy)ethylamino]-1H-pyridazin-6-one?
5-chloro-4-[2-(2,2-difluoroethoxy)ethylamino]-1H-pyridazin-6-one has a molecular weight of 253.64 g/mol, XLogP of 1.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[2-(2,2-difluoroethoxy)ethylamino]-1H-pyridazin-6-one is sourced from PubChem (CID 103081442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).