1H-pyridazin-6-one;hydrate;hydrochloride

C4H7ClN2O2 — CID 141185149

IUPAC1H-pyridazin-6-one;hydrate;hydrochloride
SMILESCl.O.O=c1cccn[nH]1
InChIInChI=1S/C4H4N2O.ClH.H2O/c7-4-2-1-3-5-6-4;;/h1-3H,(H,6,7);1H;1H2
InChIKeyQFVUBODEEWXQKW-UHFFFAOYSA-N
MW150.57 g/mol
LogP-0.63
Rot. Bonds

About 1H-pyridazin-6-one;hydrate;hydrochloride

1H-pyridazin-6-one;hydrate;hydrochloride (PubChem CID 141185149) has the molecular formula C4H7ClN2O2 and a molecular weight of 150.57 g/mol. Its IUPAC name is 1H-pyridazin-6-one;hydrate;hydrochloride.

Molecular Properties

Compound Name1H-pyridazin-6-one;hydrate;hydrochloride
PubChem CID141185149
Molecular FormulaC4H7ClN2O2
Molecular Weight150.57 g/mol
Exact Mass150.02
IUPAC Name1H-pyridazin-6-one;hydrate;hydrochloride
SMILESCl.O.O=c1cccn[nH]1
InChIInChI=1S/C4H4N2O.ClH.H2O/c7-4-2-1-3-5-6-4;;/h1-3H,(H,6,7);1H;1H2
InChIKeyQFVUBODEEWXQKW-UHFFFAOYSA-N
XLogP-0.63
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.57
LogP ≤ 5-0.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1H-pyridazin-6-one;hydrate;hydrochloride?
The IUPAC name of 1H-pyridazin-6-one;hydrate;hydrochloride (CID 141185149) is 1H-pyridazin-6-one;hydrate;hydrochloride.
What is the SMILES notation for 1H-pyridazin-6-one;hydrate;hydrochloride?
The canonical SMILES for 1H-pyridazin-6-one;hydrate;hydrochloride is Cl.O.O=c1cccn[nH]1.
What is the InChIKey of 1H-pyridazin-6-one;hydrate;hydrochloride?
The InChIKey is QFVUBODEEWXQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2O.ClH.H2O/c7-4-2-1-3-5-6-4;;/h1-3H,(H,6,7);1H;1H2.
What are the key properties of 1H-pyridazin-6-one;hydrate;hydrochloride?
1H-pyridazin-6-one;hydrate;hydrochloride has a molecular weight of 150.57 g/mol, XLogP of -0.63, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyridazin-6-one;hydrate;hydrochloride is sourced from PubChem (CID 141185149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).