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

C11H16ClF2N3O2 — CID 106177982

IUPAC4-chloro-5-[(2,2-difluoro-3-hydroxypropyl)amino]-2-(2-methylpropyl)pyridazin-3-one
SMILESCC(C)Cn1ncc(NCC(F)(F)CO)c(Cl)c1=O
InChIInChI=1S/C11H16ClF2N3O2/c1-7(2)4-17-10(19)9(12)8(3-16-17)15-5-11(13,14)6-18/h3,7,15,18H,4-6H2,1-2H3
InChIKeyWWQALNDARISPDF-UHFFFAOYSA-N
MW295.72 g/mol
LogP1.59
Rot. Bonds6

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

4-chloro-5-[(2,2-difluoro-3-hydroxypropyl)amino]-2-(2-methylpropyl)pyridazin-3-one (PubChem CID 106177982) has the molecular formula C11H16ClF2N3O2 and a molecular weight of 295.72 g/mol. Its IUPAC name is 4-chloro-5-[(2,2-difluoro-3-hydroxypropyl)amino]-2-(2-methylpropyl)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[(2,2-difluoro-3-hydroxypropyl)amino]-2-(2-methylpropyl)pyridazin-3-one
PubChem CID106177982
Molecular FormulaC11H16ClF2N3O2
Molecular Weight295.72 g/mol
Exact Mass295.09
IUPAC Name4-chloro-5-[(2,2-difluoro-3-hydroxypropyl)amino]-2-(2-methylpropyl)pyridazin-3-one
SMILESCC(C)Cn1ncc(NCC(F)(F)CO)c(Cl)c1=O
InChIInChI=1S/C11H16ClF2N3O2/c1-7(2)4-17-10(19)9(12)8(3-16-17)15-5-11(13,14)6-18/h3,7,15,18H,4-6H2,1-2H3
InChIKeyWWQALNDARISPDF-UHFFFAOYSA-N
XLogP1.59
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.72
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[(2,2-difluoro-3-hydroxypropyl)amino]-2-(2-methylpropyl)pyridazin-3-one?
The IUPAC name of 4-chloro-5-[(2,2-difluoro-3-hydroxypropyl)amino]-2-(2-methylpropyl)pyridazin-3-one (CID 106177982) is 4-chloro-5-[(2,2-difluoro-3-hydroxypropyl)amino]-2-(2-methylpropyl)pyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[(2,2-difluoro-3-hydroxypropyl)amino]-2-(2-methylpropyl)pyridazin-3-one?
The canonical SMILES for 4-chloro-5-[(2,2-difluoro-3-hydroxypropyl)amino]-2-(2-methylpropyl)pyridazin-3-one is CC(C)Cn1ncc(NCC(F)(F)CO)c(Cl)c1=O.
What is the InChIKey of 4-chloro-5-[(2,2-difluoro-3-hydroxypropyl)amino]-2-(2-methylpropyl)pyridazin-3-one?
The InChIKey is WWQALNDARISPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClF2N3O2/c1-7(2)4-17-10(19)9(12)8(3-16-17)15-5-11(13,14)6-18/h3,7,15,18H,4-6H2,1-2H3.
What are the key properties of 4-chloro-5-[(2,2-difluoro-3-hydroxypropyl)amino]-2-(2-methylpropyl)pyridazin-3-one?
4-chloro-5-[(2,2-difluoro-3-hydroxypropyl)amino]-2-(2-methylpropyl)pyridazin-3-one has a molecular weight of 295.72 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[(2,2-difluoro-3-hydroxypropyl)amino]-2-(2-methylpropyl)pyridazin-3-one is sourced from PubChem (CID 106177982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).