5-chloro-4-[(2,2-difluoro-3-hydroxypropyl)amino]-1H-pyridazin-6-one

C7H8ClF2N3O2 — CID 104858464

IUPAC5-chloro-4-[(2,2-difluoro-3-hydroxypropyl)amino]-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(NCC(F)(F)CO)c1Cl
InChIInChI=1S/C7H8ClF2N3O2/c8-5-4(1-12-13-6(5)15)11-2-7(9,10)3-14/h1,14H,2-3H2,(H2,11,13,15)
InChIKeyQJDSREKXOITIAC-UHFFFAOYSA-N
MW239.61 g/mol
LogP0.46
Rot. Bonds4

About 5-chloro-4-[(2,2-difluoro-3-hydroxypropyl)amino]-1H-pyridazin-6-one

5-chloro-4-[(2,2-difluoro-3-hydroxypropyl)amino]-1H-pyridazin-6-one (PubChem CID 104858464) has the molecular formula C7H8ClF2N3O2 and a molecular weight of 239.61 g/mol. Its IUPAC name is 5-chloro-4-[(2,2-difluoro-3-hydroxypropyl)amino]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[(2,2-difluoro-3-hydroxypropyl)amino]-1H-pyridazin-6-one
PubChem CID104858464
Molecular FormulaC7H8ClF2N3O2
Molecular Weight239.61 g/mol
Exact Mass239.03
IUPAC Name5-chloro-4-[(2,2-difluoro-3-hydroxypropyl)amino]-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(NCC(F)(F)CO)c1Cl
InChIInChI=1S/C7H8ClF2N3O2/c8-5-4(1-12-13-6(5)15)11-2-7(9,10)3-14/h1,14H,2-3H2,(H2,11,13,15)
InChIKeyQJDSREKXOITIAC-UHFFFAOYSA-N
XLogP0.46
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.61
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-chloro-4-[(2,2-difluoro-3-hydroxypropyl)amino]-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

4-chloro-5-[(3-hydroxypropyl)amino]-3(2H)-pyridazinone
CID 1646756
5-chloro-4-(3,3,3-trifluoropropylamino)-1H-pyridazin-6-one
CID 79033828
5-chloro-4-(4,4,4-trifluorobutylamino)-1H-pyridazin-6-one
CID 79040831
5-chloro-4-(2,2-difluoroethylamino)-1H-pyridazin-6-one
CID 79098505
5-chloro-4-(2,2,2-trifluoroethylamino)-1H-pyridazin-6-one
CID 80746939
4-Chloro-5-[(2,2-difluoro-3-hydroxypropyl)amino]-2-methylpyridazin-3-one
CID 104858428
4-Chloro-5-[(2,2-difluoro-3-hydroxypropyl)amino]-2-(2-methoxyethyl)pyridazin-3-one
CID 104858548
5-chloro-4-[(3,3-difluoro-2-hydroxypropyl)amino]-1H-pyridazin-6-one
CID 105647896
4-Chloro-5-[(2,2-difluoro-3-hydroxypropyl)amino]-2-prop-2-enylpyridazin-3-one
CID 106177919
4-Chloro-5-[(2,2-difluoro-3-hydroxypropyl)amino]-2-propan-2-ylpyridazin-3-one
CID 106177974
2-Butyl-4-chloro-5-[(2,2-difluoro-3-hydroxypropyl)amino]pyridazin-3-one
CID 106177977
5-bromo-4-[(2,2-difluoro-3-hydroxypropyl)amino]-1H-pyridazin-6-one
CID 106177978

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(2,2-difluoro-3-hydroxypropyl)amino]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[(2,2-difluoro-3-hydroxypropyl)amino]-1H-pyridazin-6-one (CID 104858464) is 5-chloro-4-[(2,2-difluoro-3-hydroxypropyl)amino]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[(2,2-difluoro-3-hydroxypropyl)amino]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[(2,2-difluoro-3-hydroxypropyl)amino]-1H-pyridazin-6-one is O=c1[nH]ncc(NCC(F)(F)CO)c1Cl.
What is the InChIKey of 5-chloro-4-[(2,2-difluoro-3-hydroxypropyl)amino]-1H-pyridazin-6-one?
The InChIKey is QJDSREKXOITIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClF2N3O2/c8-5-4(1-12-13-6(5)15)11-2-7(9,10)3-14/h1,14H,2-3H2,(H2,11,13,15).
What are the key properties of 5-chloro-4-[(2,2-difluoro-3-hydroxypropyl)amino]-1H-pyridazin-6-one?
5-chloro-4-[(2,2-difluoro-3-hydroxypropyl)amino]-1H-pyridazin-6-one has a molecular weight of 239.61 g/mol, XLogP of 0.46, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(2,2-difluoro-3-hydroxypropyl)amino]-1H-pyridazin-6-one is sourced from PubChem (CID 104858464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).