(6-oxo-1H-pyridazin-4-yl) hydrogen carbonate

C5H4N2O4 — CID 89497416

IUPAC(6-oxo-1H-pyridazin-4-yl) hydrogen carbonate
SMILESO=C(O)Oc1cn[nH]c(=O)c1
InChIInChI=1S/C5H4N2O4/c8-4-1-3(2-6-7-4)11-5(9)10/h1-2H,(H,7,8)(H,9,10)
InChIKeyXPEUJLGJACXWRF-UHFFFAOYSA-N
MW156.10 g/mol
LogP-0.17
Rot. Bonds1

About (6-oxo-1H-pyridazin-4-yl) hydrogen carbonate

(6-oxo-1H-pyridazin-4-yl) hydrogen carbonate (PubChem CID 89497416) has the molecular formula C5H4N2O4 and a molecular weight of 156.10 g/mol. Its IUPAC name is (6-oxo-1H-pyridazin-4-yl) hydrogen carbonate.

Molecular Properties

Compound Name(6-oxo-1H-pyridazin-4-yl) hydrogen carbonate
PubChem CID89497416
Molecular FormulaC5H4N2O4
Molecular Weight156.10 g/mol
Exact Mass156.02
IUPAC Name(6-oxo-1H-pyridazin-4-yl) hydrogen carbonate
SMILESO=C(O)Oc1cn[nH]c(=O)c1
InChIInChI=1S/C5H4N2O4/c8-4-1-3(2-6-7-4)11-5(9)10/h1-2H,(H,7,8)(H,9,10)
InChIKeyXPEUJLGJACXWRF-UHFFFAOYSA-N
XLogP-0.17
TPSA92.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.10
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6-oxo-1H-pyridazin-4-yl) hydrogen carbonate?
The IUPAC name of (6-oxo-1H-pyridazin-4-yl) hydrogen carbonate (CID 89497416) is (6-oxo-1H-pyridazin-4-yl) hydrogen carbonate.
What is the SMILES notation for (6-oxo-1H-pyridazin-4-yl) hydrogen carbonate?
The canonical SMILES for (6-oxo-1H-pyridazin-4-yl) hydrogen carbonate is O=C(O)Oc1cn[nH]c(=O)c1.
What is the InChIKey of (6-oxo-1H-pyridazin-4-yl) hydrogen carbonate?
The InChIKey is XPEUJLGJACXWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N2O4/c8-4-1-3(2-6-7-4)11-5(9)10/h1-2H,(H,7,8)(H,9,10).
What are the key properties of (6-oxo-1H-pyridazin-4-yl) hydrogen carbonate?
(6-oxo-1H-pyridazin-4-yl) hydrogen carbonate has a molecular weight of 156.10 g/mol, XLogP of -0.17, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-oxo-1H-pyridazin-4-yl) hydrogen carbonate is sourced from PubChem (CID 89497416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).