6-[(2-ethylimidazol-1-yl)methyl]-1H-pyridazin-4-one

C10H12N4O — CID 22240235

IUPAC6-[(2-ethylimidazol-1-yl)methyl]-1H-pyridazin-4-one
SMILESCCc1nccn1Cc1cc(=O)cn[nH]1
InChIInChI=1S/C10H12N4O/c1-2-10-11-3-4-14(10)7-8-5-9(15)6-12-13-8/h3-6H,2,7H2,1H3,(H,13,15)
InChIKeyXFVIKZAJSUGXNX-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.58
Rot. Bonds3

About 6-[(2-ethylimidazol-1-yl)methyl]-1H-pyridazin-4-one

6-[(2-ethylimidazol-1-yl)methyl]-1H-pyridazin-4-one (PubChem CID 22240235) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 6-[(2-ethylimidazol-1-yl)methyl]-1H-pyridazin-4-one.

Molecular Properties

Compound Name6-[(2-ethylimidazol-1-yl)methyl]-1H-pyridazin-4-one
PubChem CID22240235
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name6-[(2-ethylimidazol-1-yl)methyl]-1H-pyridazin-4-one
SMILESCCc1nccn1Cc1cc(=O)cn[nH]1
InChIInChI=1S/C10H12N4O/c1-2-10-11-3-4-14(10)7-8-5-9(15)6-12-13-8/h3-6H,2,7H2,1H3,(H,13,15)
InChIKeyXFVIKZAJSUGXNX-UHFFFAOYSA-N
XLogP0.58
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-ethylimidazol-1-yl)methyl]-1H-pyridazin-4-one?
The IUPAC name of 6-[(2-ethylimidazol-1-yl)methyl]-1H-pyridazin-4-one (CID 22240235) is 6-[(2-ethylimidazol-1-yl)methyl]-1H-pyridazin-4-one.
What is the SMILES notation for 6-[(2-ethylimidazol-1-yl)methyl]-1H-pyridazin-4-one?
The canonical SMILES for 6-[(2-ethylimidazol-1-yl)methyl]-1H-pyridazin-4-one is CCc1nccn1Cc1cc(=O)cn[nH]1.
What is the InChIKey of 6-[(2-ethylimidazol-1-yl)methyl]-1H-pyridazin-4-one?
The InChIKey is XFVIKZAJSUGXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-2-10-11-3-4-14(10)7-8-5-9(15)6-12-13-8/h3-6H,2,7H2,1H3,(H,13,15).
What are the key properties of 6-[(2-ethylimidazol-1-yl)methyl]-1H-pyridazin-4-one?
6-[(2-ethylimidazol-1-yl)methyl]-1H-pyridazin-4-one has a molecular weight of 204.23 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-ethylimidazol-1-yl)methyl]-1H-pyridazin-4-one is sourced from PubChem (CID 22240235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).