5-chloro-4-(3,3,3-trifluoropropylamino)-1H-pyridazin-6-one

C7H7ClF3N3O — CID 79033828

IUPAC5-chloro-4-(3,3,3-trifluoropropylamino)-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(NCCC(F)(F)F)c1Cl
InChIInChI=1S/C7H7ClF3N3O/c8-5-4(3-13-14-6(5)15)12-2-1-7(9,10)11/h3H,1-2H2,(H2,12,14,15)
InChIKeyNTKGWTWIMVSOTP-UHFFFAOYSA-N
MW241.60 g/mol
LogP1.79
Rot. Bonds3

About 5-chloro-4-(3,3,3-trifluoropropylamino)-1H-pyridazin-6-one

5-chloro-4-(3,3,3-trifluoropropylamino)-1H-pyridazin-6-one (PubChem CID 79033828) has the molecular formula C7H7ClF3N3O and a molecular weight of 241.60 g/mol. Its IUPAC name is 5-chloro-4-(3,3,3-trifluoropropylamino)-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-(3,3,3-trifluoropropylamino)-1H-pyridazin-6-one
PubChem CID79033828
Molecular FormulaC7H7ClF3N3O
Molecular Weight241.60 g/mol
Exact Mass241.02
IUPAC Name5-chloro-4-(3,3,3-trifluoropropylamino)-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(NCCC(F)(F)F)c1Cl
InChIInChI=1S/C7H7ClF3N3O/c8-5-4(3-13-14-6(5)15)12-2-1-7(9,10)11/h3H,1-2H2,(H2,12,14,15)
InChIKeyNTKGWTWIMVSOTP-UHFFFAOYSA-N
XLogP1.79
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.60
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-chloro-4-(3,3,3-trifluoropropylamino)-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-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-(4-hydroxybutylamino)-1H-pyridazin-6-one
CID 106842784
4-(but-3-ynylamino)-5-chloro-1H-pyridazin-6-one
CID 78959225
5-chloro-4-(2,2-difluoroethylamino)-1H-pyridazin-6-one
CID 79098505
5-chloro-4-[2-(2,2-difluoroethoxy)ethylamino]-1H-pyridazin-6-one
CID 103081442
2-[(5-chloro-6-oxo-1H-pyridazin-4-yl)amino]-N,N-dimethylethanesulfonamide
CID 114175492
5-chloro-4-(3-methylsulfinylpropylamino)-1H-pyridazin-6-one
CID 115631406
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
2-[(5-chloro-6-oxo-1H-pyridazin-4-yl)amino]-N,N-diethylethanesulfonamide
CID 133292970
4-[(4-bromophenyl)methylamino]-5-chloro-1H-pyridazin-6-one
CID 78948051

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(3,3,3-trifluoropropylamino)-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-(3,3,3-trifluoropropylamino)-1H-pyridazin-6-one (CID 79033828) is 5-chloro-4-(3,3,3-trifluoropropylamino)-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-(3,3,3-trifluoropropylamino)-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-(3,3,3-trifluoropropylamino)-1H-pyridazin-6-one is O=c1[nH]ncc(NCCC(F)(F)F)c1Cl.
What is the InChIKey of 5-chloro-4-(3,3,3-trifluoropropylamino)-1H-pyridazin-6-one?
The InChIKey is NTKGWTWIMVSOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClF3N3O/c8-5-4(3-13-14-6(5)15)12-2-1-7(9,10)11/h3H,1-2H2,(H2,12,14,15).
What are the key properties of 5-chloro-4-(3,3,3-trifluoropropylamino)-1H-pyridazin-6-one?
5-chloro-4-(3,3,3-trifluoropropylamino)-1H-pyridazin-6-one has a molecular weight of 241.60 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(3,3,3-trifluoropropylamino)-1H-pyridazin-6-one is sourced from PubChem (CID 79033828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).