3-[(5-hydroxy-2-methoxyphenyl)methyl]-1H-pyridazin-6-one;hydrochloride

C12H13ClN2O3 — CID 14333139

IUPAC3-[(5-hydroxy-2-methoxyphenyl)methyl]-1H-pyridazin-6-one;hydrochloride
SMILESCOc1ccc(O)cc1Cc1ccc(=O)[nH]n1.Cl
InChIInChI=1S/C12H12N2O3.ClH/c1-17-11-4-3-10(15)7-8(11)6-9-2-5-12(16)14-13-9;/h2-5,7,15H,6H2,1H3,(H,14,16);1H
InChIKeyANNMJJPNGNKCCY-UHFFFAOYSA-N
MW268.70 g/mol
LogP1.50
Rot. Bonds3

About 3-[(5-hydroxy-2-methoxyphenyl)methyl]-1H-pyridazin-6-one;hydrochloride

3-[(5-hydroxy-2-methoxyphenyl)methyl]-1H-pyridazin-6-one;hydrochloride (PubChem CID 14333139) has the molecular formula C12H13ClN2O3 and a molecular weight of 268.70 g/mol. Its IUPAC name is 3-[(5-hydroxy-2-methoxyphenyl)methyl]-1H-pyridazin-6-one;hydrochloride.

Molecular Properties

Compound Name3-[(5-hydroxy-2-methoxyphenyl)methyl]-1H-pyridazin-6-one;hydrochloride
PubChem CID14333139
Molecular FormulaC12H13ClN2O3
Molecular Weight268.70 g/mol
Exact Mass268.06
IUPAC Name3-[(5-hydroxy-2-methoxyphenyl)methyl]-1H-pyridazin-6-one;hydrochloride
SMILESCOc1ccc(O)cc1Cc1ccc(=O)[nH]n1.Cl
InChIInChI=1S/C12H12N2O3.ClH/c1-17-11-4-3-10(15)7-8(11)6-9-2-5-12(16)14-13-9;/h2-5,7,15H,6H2,1H3,(H,14,16);1H
InChIKeyANNMJJPNGNKCCY-UHFFFAOYSA-N
XLogP1.50
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.70
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-hydroxy-2-methoxyphenyl)methyl]-1H-pyridazin-6-one;hydrochloride?
The IUPAC name of 3-[(5-hydroxy-2-methoxyphenyl)methyl]-1H-pyridazin-6-one;hydrochloride (CID 14333139) is 3-[(5-hydroxy-2-methoxyphenyl)methyl]-1H-pyridazin-6-one;hydrochloride.
What is the SMILES notation for 3-[(5-hydroxy-2-methoxyphenyl)methyl]-1H-pyridazin-6-one;hydrochloride?
The canonical SMILES for 3-[(5-hydroxy-2-methoxyphenyl)methyl]-1H-pyridazin-6-one;hydrochloride is COc1ccc(O)cc1Cc1ccc(=O)[nH]n1.Cl.
What is the InChIKey of 3-[(5-hydroxy-2-methoxyphenyl)methyl]-1H-pyridazin-6-one;hydrochloride?
The InChIKey is ANNMJJPNGNKCCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3.ClH/c1-17-11-4-3-10(15)7-8(11)6-9-2-5-12(16)14-13-9;/h2-5,7,15H,6H2,1H3,(H,14,16);1H.
What are the key properties of 3-[(5-hydroxy-2-methoxyphenyl)methyl]-1H-pyridazin-6-one;hydrochloride?
3-[(5-hydroxy-2-methoxyphenyl)methyl]-1H-pyridazin-6-one;hydrochloride has a molecular weight of 268.70 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-hydroxy-2-methoxyphenyl)methyl]-1H-pyridazin-6-one;hydrochloride is sourced from PubChem (CID 14333139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).