propanoic acid;pyridazine

C7H10N2O2 — CID 158683617

IUPACpropanoic acid;pyridazine
SMILESCCC(=O)O.c1ccnnc1
InChIInChI=1S/C4H4N2.C3H6O2/c1-2-4-6-5-3-1;1-2-3(4)5/h1-4H;2H2,1H3,(H,4,5)
InChIKeyIFLJEVPFOZLHQG-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.96
Rot. Bonds1

About propanoic acid;pyridazine

propanoic acid;pyridazine (PubChem CID 158683617) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is propanoic acid;pyridazine.

Molecular Properties

Compound Namepropanoic acid;pyridazine
PubChem CID158683617
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Namepropanoic acid;pyridazine
SMILESCCC(=O)O.c1ccnnc1
InChIInChI=1S/C4H4N2.C3H6O2/c1-2-4-6-5-3-1;1-2-3(4)5/h1-4H;2H2,1H3,(H,4,5)
InChIKeyIFLJEVPFOZLHQG-UHFFFAOYSA-N
XLogP0.96
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propanoic acid;pyridazine?
The IUPAC name of propanoic acid;pyridazine (CID 158683617) is propanoic acid;pyridazine.
What is the SMILES notation for propanoic acid;pyridazine?
The canonical SMILES for propanoic acid;pyridazine is CCC(=O)O.c1ccnnc1.
What is the InChIKey of propanoic acid;pyridazine?
The InChIKey is IFLJEVPFOZLHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2.C3H6O2/c1-2-4-6-5-3-1;1-2-3(4)5/h1-4H;2H2,1H3,(H,4,5).
What are the key properties of propanoic acid;pyridazine?
propanoic acid;pyridazine has a molecular weight of 154.17 g/mol, XLogP of 0.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propanoic acid;pyridazine is sourced from PubChem (CID 158683617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).