ethyl 3-(6-phenylpyridazin-3-yl)imidazole-4-carboxylate

C16H14N4O2 — CID 134397415

IUPACethyl 3-(6-phenylpyridazin-3-yl)imidazole-4-carboxylate
SMILESCCOC(=O)c1cncn1-c1ccc(-c2ccccc2)nn1
InChIInChI=1S/C16H14N4O2/c1-2-22-16(21)14-10-17-11-20(14)15-9-8-13(18-19-15)12-6-4-3-5-7-12/h3-11H,2H2,1H3
InChIKeyJKNISRIFYBFLQL-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.51
Rot. Bonds4

About ethyl 3-(6-phenylpyridazin-3-yl)imidazole-4-carboxylate

ethyl 3-(6-phenylpyridazin-3-yl)imidazole-4-carboxylate (PubChem CID 134397415) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is ethyl 3-(6-phenylpyridazin-3-yl)imidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-(6-phenylpyridazin-3-yl)imidazole-4-carboxylate
PubChem CID134397415
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC Nameethyl 3-(6-phenylpyridazin-3-yl)imidazole-4-carboxylate
SMILESCCOC(=O)c1cncn1-c1ccc(-c2ccccc2)nn1
InChIInChI=1S/C16H14N4O2/c1-2-22-16(21)14-10-17-11-20(14)15-9-8-13(18-19-15)12-6-4-3-5-7-12/h3-11H,2H2,1H3
InChIKeyJKNISRIFYBFLQL-UHFFFAOYSA-N
XLogP2.51
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(6-phenylpyridazin-3-yl)imidazole-4-carboxylate?
The IUPAC name of ethyl 3-(6-phenylpyridazin-3-yl)imidazole-4-carboxylate (CID 134397415) is ethyl 3-(6-phenylpyridazin-3-yl)imidazole-4-carboxylate.
What is the SMILES notation for ethyl 3-(6-phenylpyridazin-3-yl)imidazole-4-carboxylate?
The canonical SMILES for ethyl 3-(6-phenylpyridazin-3-yl)imidazole-4-carboxylate is CCOC(=O)c1cncn1-c1ccc(-c2ccccc2)nn1.
What is the InChIKey of ethyl 3-(6-phenylpyridazin-3-yl)imidazole-4-carboxylate?
The InChIKey is JKNISRIFYBFLQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c1-2-22-16(21)14-10-17-11-20(14)15-9-8-13(18-19-15)12-6-4-3-5-7-12/h3-11H,2H2,1H3.
What are the key properties of ethyl 3-(6-phenylpyridazin-3-yl)imidazole-4-carboxylate?
ethyl 3-(6-phenylpyridazin-3-yl)imidazole-4-carboxylate has a molecular weight of 294.31 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(6-phenylpyridazin-3-yl)imidazole-4-carboxylate is sourced from PubChem (CID 134397415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).