ethanol;propan-2-one;pyridazine

C9H16N2O2 — CID 158756422

IUPACethanol;propan-2-one;pyridazine
SMILESCC(C)=O.CCO.c1ccnnc1
InChIInChI=1S/C4H4N2.C3H6O.C2H6O/c1-2-4-6-5-3-1;1-3(2)4;1-2-3/h1-4H;1-2H3;3H,2H2,1H3
InChIKeyIODCHOSCGJBDPH-UHFFFAOYSA-N
MW184.24 g/mol
LogP1.07
Rot. Bonds

About ethanol;propan-2-one;pyridazine

ethanol;propan-2-one;pyridazine (PubChem CID 158756422) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is ethanol;propan-2-one;pyridazine.

Molecular Properties

Compound Nameethanol;propan-2-one;pyridazine
PubChem CID158756422
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Nameethanol;propan-2-one;pyridazine
SMILESCC(C)=O.CCO.c1ccnnc1
InChIInChI=1S/C4H4N2.C3H6O.C2H6O/c1-2-4-6-5-3-1;1-3(2)4;1-2-3/h1-4H;1-2H3;3H,2H2,1H3
InChIKeyIODCHOSCGJBDPH-UHFFFAOYSA-N
XLogP1.07
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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ethane;pyridazine
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ethanol;methanol;propan-2-ol;propan-2-one
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hexane;propan-2-one;pyridine
CID 66842615
ethane;ethanol;pyridine
CID 90997450
CID 172754984
CID 172754984
pyridazine;dihydrofluoride
CID 175095692
propane;propan-2-one
CID 90822370
ethanol;methanol
CID 157119827
ethane;2-ethylpyridine;propan-2-one
CID 91062133
bis(2-methylpropane);pyridazine
CID 160936633
ethanol;pyrazine
CID 68904554

Frequently Asked Questions

What is the IUPAC name of ethanol;propan-2-one;pyridazine?
The IUPAC name of ethanol;propan-2-one;pyridazine (CID 158756422) is ethanol;propan-2-one;pyridazine.
What is the SMILES notation for ethanol;propan-2-one;pyridazine?
The canonical SMILES for ethanol;propan-2-one;pyridazine is CC(C)=O.CCO.c1ccnnc1.
What is the InChIKey of ethanol;propan-2-one;pyridazine?
The InChIKey is IODCHOSCGJBDPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2.C3H6O.C2H6O/c1-2-4-6-5-3-1;1-3(2)4;1-2-3/h1-4H;1-2H3;3H,2H2,1H3.
What are the key properties of ethanol;propan-2-one;pyridazine?
ethanol;propan-2-one;pyridazine has a molecular weight of 184.24 g/mol, XLogP of 1.07, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;propan-2-one;pyridazine is sourced from PubChem (CID 158756422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).