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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Related Compounds

3-[[5-(2,6-dichloro-4-methylbenzoyl)-2-methoxyphenyl]methyl]-1H-pyridazin-6-one
CID 70137016
4-methoxy-3-[(5-methoxy-2-pyridinyl)methyl]phenol
CID 14333130
3-[(3-methoxyphenyl)methyl]-1H-pyridazin-6-one
CID 11769880
4-methoxy-3-(methylaminomethyl)phenol
CID 84731678
3-(5-chloro-2-methoxyphenyl)-1H-pyridazin-6-one
CID 106514741
4-methoxy-3-(3-methylbut-2-enyl)phenol
CID 101027686
4-methoxy-3-[3-(methylamino)propyl]phenol
CID 84733265
3-[[4-chloro-3-(2,4-dichlorophenoxy)phenyl]methyl]-1H-pyridazin-6-one
CID 18440207
[5-[(5-chloro-2-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]methanamine
CID 82481641
3-[(1-hydroxycyclopropyl)methyl]-4-methoxyphenol
CID 117284575
N-(3-hydroxy-4-methoxyphenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 103600732
3-[[3-chloro-5-(4-methoxybenzoyl)-1-methylpyrrol-2-yl]methyl]-1H-pyridazin-6-one
CID 67722117

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).