acetic acid;1H-pyridazin-6-one;pyridine

C11H13N3O3 — CID 69053307

IUPACacetic acid;1H-pyridazin-6-one;pyridine
SMILESCC(=O)O.O=c1cccn[nH]1.c1ccncc1
InChIInChI=1S/C5H5N.C4H4N2O.C2H4O2/c1-2-4-6-5-3-1;7-4-2-1-3-5-6-4;1-2(3)4/h1-5H;1-3H,(H,6,7);1H3,(H,3,4)
InChIKeyGVGZZOKTKNYZKT-UHFFFAOYSA-N
MW235.24 g/mol
LogP0.94
Rot. Bonds

About acetic acid;1H-pyridazin-6-one;pyridine

acetic acid;1H-pyridazin-6-one;pyridine (PubChem CID 69053307) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is acetic acid;1H-pyridazin-6-one;pyridine.

Molecular Properties

Compound Nameacetic acid;1H-pyridazin-6-one;pyridine
PubChem CID69053307
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Nameacetic acid;1H-pyridazin-6-one;pyridine
SMILESCC(=O)O.O=c1cccn[nH]1.c1ccncc1
InChIInChI=1S/C5H5N.C4H4N2O.C2H4O2/c1-2-4-6-5-3-1;7-4-2-1-3-5-6-4;1-2(3)4/h1-5H;1-3H,(H,6,7);1H3,(H,3,4)
InChIKeyGVGZZOKTKNYZKT-UHFFFAOYSA-N
XLogP0.94
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze acetic acid;1H-pyridazin-6-one;pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

acetic acid;bis(pyridine);hydrate
CID 67804829
acetic acid;ethane;pyridine
CID 91392032
copper;bis(1H-pyrazole-5-carboxylate);pyridine
CID 174826525
acetyl bromide;pyridine
CID 87730061
ethane;bis(propan-2-one);pyridine;bis(pyrimidine)
CID 158052279
azepin-4-one;(Z)-but-2-enedioic acid
CID 162312331
but-2-enedioic acid;bis(pyridine)
CID 173055227
copper;bis(propan-2-one);tetrakis(pyridine);dihexafluorophosphate
CID 139159655
acetic acid;1H-pyrazole
CID 22217988
acetyl acetate;ethane;pyridine
CID 143350505
2-methylprop-1-ene;pyridine
CID 160671535
pyridine;N-pyridin-2-ylacetamide
CID 67298573

Frequently Asked Questions

What is the IUPAC name of acetic acid;1H-pyridazin-6-one;pyridine?
The IUPAC name of acetic acid;1H-pyridazin-6-one;pyridine (CID 69053307) is acetic acid;1H-pyridazin-6-one;pyridine.
What is the SMILES notation for acetic acid;1H-pyridazin-6-one;pyridine?
The canonical SMILES for acetic acid;1H-pyridazin-6-one;pyridine is CC(=O)O.O=c1cccn[nH]1.c1ccncc1.
What is the InChIKey of acetic acid;1H-pyridazin-6-one;pyridine?
The InChIKey is GVGZZOKTKNYZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N.C4H4N2O.C2H4O2/c1-2-4-6-5-3-1;7-4-2-1-3-5-6-4;1-2(3)4/h1-5H;1-3H,(H,6,7);1H3,(H,3,4).
What are the key properties of acetic acid;1H-pyridazin-6-one;pyridine?
acetic acid;1H-pyridazin-6-one;pyridine has a molecular weight of 235.24 g/mol, XLogP of 0.94, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;1H-pyridazin-6-one;pyridine is sourced from PubChem (CID 69053307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).