4-(2,2-difluoropropylamino)-1H-pyridazin-6-one

C7H9F2N3O — CID 164654661

IUPAC4-(2,2-difluoropropylamino)-1H-pyridazin-6-one
SMILESCC(F)(F)CNc1cn[nH]c(=O)c1
InChIInChI=1S/C7H9F2N3O/c1-7(8,9)4-10-5-2-6(13)12-11-3-5/h2-3H,4H2,1H3,(H2,10,12,13)
InChIKeyAOMGMAPPAHSGDS-UHFFFAOYSA-N
MW189.17 g/mol
LogP0.84
Rot. Bonds3

About 4-(2,2-difluoropropylamino)-1H-pyridazin-6-one

4-(2,2-difluoropropylamino)-1H-pyridazin-6-one (PubChem CID 164654661) has the molecular formula C7H9F2N3O and a molecular weight of 189.17 g/mol. Its IUPAC name is 4-(2,2-difluoropropylamino)-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-(2,2-difluoropropylamino)-1H-pyridazin-6-one
PubChem CID164654661
Molecular FormulaC7H9F2N3O
Molecular Weight189.17 g/mol
Exact Mass189.07
IUPAC Name4-(2,2-difluoropropylamino)-1H-pyridazin-6-one
SMILESCC(F)(F)CNc1cn[nH]c(=O)c1
InChIInChI=1S/C7H9F2N3O/c1-7(8,9)4-10-5-2-6(13)12-11-3-5/h2-3H,4H2,1H3,(H2,10,12,13)
InChIKeyAOMGMAPPAHSGDS-UHFFFAOYSA-N
XLogP0.84
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(2,2-difluoropropylamino)-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

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoropropylamino)-1H-pyridazin-6-one?
The IUPAC name of 4-(2,2-difluoropropylamino)-1H-pyridazin-6-one (CID 164654661) is 4-(2,2-difluoropropylamino)-1H-pyridazin-6-one.
What is the SMILES notation for 4-(2,2-difluoropropylamino)-1H-pyridazin-6-one?
The canonical SMILES for 4-(2,2-difluoropropylamino)-1H-pyridazin-6-one is CC(F)(F)CNc1cn[nH]c(=O)c1.
What is the InChIKey of 4-(2,2-difluoropropylamino)-1H-pyridazin-6-one?
The InChIKey is AOMGMAPPAHSGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2N3O/c1-7(8,9)4-10-5-2-6(13)12-11-3-5/h2-3H,4H2,1H3,(H2,10,12,13).
What are the key properties of 4-(2,2-difluoropropylamino)-1H-pyridazin-6-one?
4-(2,2-difluoropropylamino)-1H-pyridazin-6-one has a molecular weight of 189.17 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoropropylamino)-1H-pyridazin-6-one is sourced from PubChem (CID 164654661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).