5-hydroxy-4-methoxy-2-phenylpyridazin-3-one

C11H10N2O3 — CID 54686949

IUPAC5-hydroxy-4-methoxy-2-phenylpyridazin-3-one
SMILESCOc1c(O)cnn(-c2ccccc2)c1=O
InChIInChI=1S/C11H10N2O3/c1-16-10-9(14)7-12-13(11(10)15)8-5-3-2-4-6-8/h2-7,14H,1H3
InChIKeyIHRUCOODPMSJSZ-UHFFFAOYSA-N
MW218.21 g/mol
LogP0.95
Rot. Bonds2

About 5-hydroxy-4-methoxy-2-phenylpyridazin-3-one

5-hydroxy-4-methoxy-2-phenylpyridazin-3-one (PubChem CID 54686949) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is 5-hydroxy-4-methoxy-2-phenylpyridazin-3-one.

Molecular Properties

Compound Name5-hydroxy-4-methoxy-2-phenylpyridazin-3-one
PubChem CID54686949
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name5-hydroxy-4-methoxy-2-phenylpyridazin-3-one
SMILESCOc1c(O)cnn(-c2ccccc2)c1=O
InChIInChI=1S/C11H10N2O3/c1-16-10-9(14)7-12-13(11(10)15)8-5-3-2-4-6-8/h2-7,14H,1H3
InChIKeyIHRUCOODPMSJSZ-UHFFFAOYSA-N
XLogP0.95
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-4-methoxy-2-phenylpyridazin-3-one?
The IUPAC name of 5-hydroxy-4-methoxy-2-phenylpyridazin-3-one (CID 54686949) is 5-hydroxy-4-methoxy-2-phenylpyridazin-3-one.
What is the SMILES notation for 5-hydroxy-4-methoxy-2-phenylpyridazin-3-one?
The canonical SMILES for 5-hydroxy-4-methoxy-2-phenylpyridazin-3-one is COc1c(O)cnn(-c2ccccc2)c1=O.
What is the InChIKey of 5-hydroxy-4-methoxy-2-phenylpyridazin-3-one?
The InChIKey is IHRUCOODPMSJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c1-16-10-9(14)7-12-13(11(10)15)8-5-3-2-4-6-8/h2-7,14H,1H3.
What are the key properties of 5-hydroxy-4-methoxy-2-phenylpyridazin-3-one?
5-hydroxy-4-methoxy-2-phenylpyridazin-3-one has a molecular weight of 218.21 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-4-methoxy-2-phenylpyridazin-3-one is sourced from PubChem (CID 54686949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).