4-chloro-5-hydroxy-2-propan-2-ylpyridazin-3-one

C7H9ClN2O2 — CID 54720250

IUPAC4-chloro-5-hydroxy-2-propan-2-ylpyridazin-3-one
SMILESCC(C)n1ncc(O)c(Cl)c1=O
InChIInChI=1S/C7H9ClN2O2/c1-4(2)10-7(12)6(8)5(11)3-9-10/h3-4,11H,1-2H3
InChIKeyLHWSOJJLYIMLKY-UHFFFAOYSA-N
MW188.61 g/mol
LogP1.18
Rot. Bonds1

About 4-chloro-5-hydroxy-2-propan-2-ylpyridazin-3-one

4-chloro-5-hydroxy-2-propan-2-ylpyridazin-3-one (PubChem CID 54720250) has the molecular formula C7H9ClN2O2 and a molecular weight of 188.61 g/mol. Its IUPAC name is 4-chloro-5-hydroxy-2-propan-2-ylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-hydroxy-2-propan-2-ylpyridazin-3-one
PubChem CID54720250
Molecular FormulaC7H9ClN2O2
Molecular Weight188.61 g/mol
Exact Mass188.04
IUPAC Name4-chloro-5-hydroxy-2-propan-2-ylpyridazin-3-one
SMILESCC(C)n1ncc(O)c(Cl)c1=O
InChIInChI=1S/C7H9ClN2O2/c1-4(2)10-7(12)6(8)5(11)3-9-10/h3-4,11H,1-2H3
InChIKeyLHWSOJJLYIMLKY-UHFFFAOYSA-N
XLogP1.18
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.61
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-hydroxy-2-propan-2-ylpyridazin-3-one?
The IUPAC name of 4-chloro-5-hydroxy-2-propan-2-ylpyridazin-3-one (CID 54720250) is 4-chloro-5-hydroxy-2-propan-2-ylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-hydroxy-2-propan-2-ylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-hydroxy-2-propan-2-ylpyridazin-3-one is CC(C)n1ncc(O)c(Cl)c1=O.
What is the InChIKey of 4-chloro-5-hydroxy-2-propan-2-ylpyridazin-3-one?
The InChIKey is LHWSOJJLYIMLKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2O2/c1-4(2)10-7(12)6(8)5(11)3-9-10/h3-4,11H,1-2H3.
What are the key properties of 4-chloro-5-hydroxy-2-propan-2-ylpyridazin-3-one?
4-chloro-5-hydroxy-2-propan-2-ylpyridazin-3-one has a molecular weight of 188.61 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-hydroxy-2-propan-2-ylpyridazin-3-one is sourced from PubChem (CID 54720250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).