ethane;propanoic acid;pyridazine

C9H16N2O2 — CID 157113765

IUPACethane;propanoic acid;pyridazine
SMILESCC.CCC(=O)O.c1ccnnc1
InChIInChI=1S/C4H4N2.C3H6O2.C2H6/c1-2-4-6-5-3-1;1-2-3(4)5;1-2/h1-4H;2H2,1H3,(H,4,5);1-2H3
InChIKeyAHDOUTZXXQQKJX-UHFFFAOYSA-N
MW184.24 g/mol
LogP1.98
Rot. Bonds1

About ethane;propanoic acid;pyridazine

ethane;propanoic acid;pyridazine (PubChem CID 157113765) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is ethane;propanoic acid;pyridazine.

Molecular Properties

Compound Nameethane;propanoic acid;pyridazine
PubChem CID157113765
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Nameethane;propanoic acid;pyridazine
SMILESCC.CCC(=O)O.c1ccnnc1
InChIInChI=1S/C4H4N2.C3H6O2.C2H6/c1-2-4-6-5-3-1;1-2-3(4)5;1-2/h1-4H;2H2,1H3,(H,4,5);1-2H3
InChIKeyAHDOUTZXXQQKJX-UHFFFAOYSA-N
XLogP1.98
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;propanoic acid;pyridazine?
The IUPAC name of ethane;propanoic acid;pyridazine (CID 157113765) is ethane;propanoic acid;pyridazine.
What is the SMILES notation for ethane;propanoic acid;pyridazine?
The canonical SMILES for ethane;propanoic acid;pyridazine is CC.CCC(=O)O.c1ccnnc1.
What is the InChIKey of ethane;propanoic acid;pyridazine?
The InChIKey is AHDOUTZXXQQKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2.C3H6O2.C2H6/c1-2-4-6-5-3-1;1-2-3(4)5;1-2/h1-4H;2H2,1H3,(H,4,5);1-2H3.
What are the key properties of ethane;propanoic acid;pyridazine?
ethane;propanoic acid;pyridazine has a molecular weight of 184.24 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;propanoic acid;pyridazine is sourced from PubChem (CID 157113765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).