4-chloro-5-hydroxy-2-propylpyridazin-3-one

C7H9ClN2O2 — CID 54707527

IUPAC4-chloro-5-hydroxy-2-propylpyridazin-3-one
SMILESCCCn1ncc(O)c(Cl)c1=O
InChIInChI=1S/C7H9ClN2O2/c1-2-3-10-7(12)6(8)5(11)4-9-10/h4,11H,2-3H2,1H3
InChIKeyLJNCSEHHTKGQFR-UHFFFAOYSA-N
MW188.61 g/mol
LogP1.01
Rot. Bonds2

About 4-chloro-5-hydroxy-2-propylpyridazin-3-one

4-chloro-5-hydroxy-2-propylpyridazin-3-one (PubChem CID 54707527) has the molecular formula C7H9ClN2O2 and a molecular weight of 188.61 g/mol. Its IUPAC name is 4-chloro-5-hydroxy-2-propylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-hydroxy-2-propylpyridazin-3-one
PubChem CID54707527
Molecular FormulaC7H9ClN2O2
Molecular Weight188.61 g/mol
Exact Mass188.04
IUPAC Name4-chloro-5-hydroxy-2-propylpyridazin-3-one
SMILESCCCn1ncc(O)c(Cl)c1=O
InChIInChI=1S/C7H9ClN2O2/c1-2-3-10-7(12)6(8)5(11)4-9-10/h4,11H,2-3H2,1H3
InChIKeyLJNCSEHHTKGQFR-UHFFFAOYSA-N
XLogP1.01
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.61
LogP ≤ 51.01
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-propylpyridazin-3-one?
The IUPAC name of 4-chloro-5-hydroxy-2-propylpyridazin-3-one (CID 54707527) is 4-chloro-5-hydroxy-2-propylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-hydroxy-2-propylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-hydroxy-2-propylpyridazin-3-one is CCCn1ncc(O)c(Cl)c1=O.
What is the InChIKey of 4-chloro-5-hydroxy-2-propylpyridazin-3-one?
The InChIKey is LJNCSEHHTKGQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2O2/c1-2-3-10-7(12)6(8)5(11)4-9-10/h4,11H,2-3H2,1H3.
What are the key properties of 4-chloro-5-hydroxy-2-propylpyridazin-3-one?
4-chloro-5-hydroxy-2-propylpyridazin-3-one has a molecular weight of 188.61 g/mol, XLogP of 1.01, 2 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-propylpyridazin-3-one is sourced from PubChem (CID 54707527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).