4-methoxy-1H-pyridazin-6-one;hydrochloride

C5H7ClN2O2 — CID 162463325

IUPAC4-methoxy-1H-pyridazin-6-one;hydrochloride
SMILESCOc1cn[nH]c(=O)c1.Cl
InChIInChI=1S/C5H6N2O2.ClH/c1-9-4-2-5(8)7-6-3-4;/h2-3H,1H3,(H,7,8);1H
InChIKeySQQULUIZSYVUSO-UHFFFAOYSA-N
MW162.58 g/mol
LogP0.20
Rot. Bonds1

About 4-methoxy-1H-pyridazin-6-one;hydrochloride

4-methoxy-1H-pyridazin-6-one;hydrochloride (PubChem CID 162463325) has the molecular formula C5H7ClN2O2 and a molecular weight of 162.58 g/mol. Its IUPAC name is 4-methoxy-1H-pyridazin-6-one;hydrochloride.

Molecular Properties

Compound Name4-methoxy-1H-pyridazin-6-one;hydrochloride
PubChem CID162463325
Molecular FormulaC5H7ClN2O2
Molecular Weight162.58 g/mol
Exact Mass162.02
IUPAC Name4-methoxy-1H-pyridazin-6-one;hydrochloride
SMILESCOc1cn[nH]c(=O)c1.Cl
InChIInChI=1S/C5H6N2O2.ClH/c1-9-4-2-5(8)7-6-3-4;/h2-3H,1H3,(H,7,8);1H
InChIKeySQQULUIZSYVUSO-UHFFFAOYSA-N
XLogP0.20
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.58
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1H-pyridazin-6-one;hydrochloride?
The IUPAC name of 4-methoxy-1H-pyridazin-6-one;hydrochloride (CID 162463325) is 4-methoxy-1H-pyridazin-6-one;hydrochloride.
What is the SMILES notation for 4-methoxy-1H-pyridazin-6-one;hydrochloride?
The canonical SMILES for 4-methoxy-1H-pyridazin-6-one;hydrochloride is COc1cn[nH]c(=O)c1.Cl.
What is the InChIKey of 4-methoxy-1H-pyridazin-6-one;hydrochloride?
The InChIKey is SQQULUIZSYVUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O2.ClH/c1-9-4-2-5(8)7-6-3-4;/h2-3H,1H3,(H,7,8);1H.
What are the key properties of 4-methoxy-1H-pyridazin-6-one;hydrochloride?
4-methoxy-1H-pyridazin-6-one;hydrochloride has a molecular weight of 162.58 g/mol, XLogP of 0.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1H-pyridazin-6-one;hydrochloride is sourced from PubChem (CID 162463325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).