3-[4-(2-ethyl-4-methylimidazol-1-yl)phenyl]-1H-pyridazin-6-one

C16H16N4O — CID 20522145

IUPAC3-[4-(2-ethyl-4-methylimidazol-1-yl)phenyl]-1H-pyridazin-6-one
SMILESCCc1nc(C)cn1-c1ccc(-c2ccc(=O)[nH]n2)cc1
InChIInChI=1S/C16H16N4O/c1-3-15-17-11(2)10-20(15)13-6-4-12(5-7-13)14-8-9-16(21)19-18-14/h4-10H,3H2,1-2H3,(H,19,21)
InChIKeyZWTZOMSSPHAOSI-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.49
Rot. Bonds3

About 3-[4-(2-ethyl-4-methylimidazol-1-yl)phenyl]-1H-pyridazin-6-one

3-[4-(2-ethyl-4-methylimidazol-1-yl)phenyl]-1H-pyridazin-6-one (PubChem CID 20522145) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 3-[4-(2-ethyl-4-methylimidazol-1-yl)phenyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[4-(2-ethyl-4-methylimidazol-1-yl)phenyl]-1H-pyridazin-6-one
PubChem CID20522145
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name3-[4-(2-ethyl-4-methylimidazol-1-yl)phenyl]-1H-pyridazin-6-one
SMILESCCc1nc(C)cn1-c1ccc(-c2ccc(=O)[nH]n2)cc1
InChIInChI=1S/C16H16N4O/c1-3-15-17-11(2)10-20(15)13-6-4-12(5-7-13)14-8-9-16(21)19-18-14/h4-10H,3H2,1-2H3,(H,19,21)
InChIKeyZWTZOMSSPHAOSI-UHFFFAOYSA-N
XLogP2.49
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-ethyl-4-methylimidazol-1-yl)phenyl]-1H-pyridazin-6-one?
The IUPAC name of 3-[4-(2-ethyl-4-methylimidazol-1-yl)phenyl]-1H-pyridazin-6-one (CID 20522145) is 3-[4-(2-ethyl-4-methylimidazol-1-yl)phenyl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[4-(2-ethyl-4-methylimidazol-1-yl)phenyl]-1H-pyridazin-6-one?
The canonical SMILES for 3-[4-(2-ethyl-4-methylimidazol-1-yl)phenyl]-1H-pyridazin-6-one is CCc1nc(C)cn1-c1ccc(-c2ccc(=O)[nH]n2)cc1.
What is the InChIKey of 3-[4-(2-ethyl-4-methylimidazol-1-yl)phenyl]-1H-pyridazin-6-one?
The InChIKey is ZWTZOMSSPHAOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-3-15-17-11(2)10-20(15)13-6-4-12(5-7-13)14-8-9-16(21)19-18-14/h4-10H,3H2,1-2H3,(H,19,21).
What are the key properties of 3-[4-(2-ethyl-4-methylimidazol-1-yl)phenyl]-1H-pyridazin-6-one?
3-[4-(2-ethyl-4-methylimidazol-1-yl)phenyl]-1H-pyridazin-6-one has a molecular weight of 280.33 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-ethyl-4-methylimidazol-1-yl)phenyl]-1H-pyridazin-6-one is sourced from PubChem (CID 20522145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).