4-ethyl-3-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]pyridazine

C16H15FN4 — CID 10401507

IUPAC4-ethyl-3-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]pyridazine
SMILESCCc1ccnnc1Cn1ccnc1-c1cccc(F)c1
InChIInChI=1S/C16H15FN4/c1-2-12-6-7-19-20-15(12)11-21-9-8-18-16(21)13-4-3-5-14(17)10-13/h3-10H,2,11H2,1H3
InChIKeyGTKUHPYXKPMJEE-UHFFFAOYSA-N
MW282.32 g/mol
LogP3.09
Rot. Bonds4

About 4-ethyl-3-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]pyridazine

4-ethyl-3-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]pyridazine (PubChem CID 10401507) has the molecular formula C16H15FN4 and a molecular weight of 282.32 g/mol. Its IUPAC name is 4-ethyl-3-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]pyridazine.

Molecular Properties

Compound Name4-ethyl-3-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]pyridazine
PubChem CID10401507
Molecular FormulaC16H15FN4
Molecular Weight282.32 g/mol
Exact Mass282.13
IUPAC Name4-ethyl-3-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]pyridazine
SMILESCCc1ccnnc1Cn1ccnc1-c1cccc(F)c1
InChIInChI=1S/C16H15FN4/c1-2-12-6-7-19-20-15(12)11-21-9-8-18-16(21)13-4-3-5-14(17)10-13/h3-10H,2,11H2,1H3
InChIKeyGTKUHPYXKPMJEE-UHFFFAOYSA-N
XLogP3.09
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]pyridazine?
The IUPAC name of 4-ethyl-3-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]pyridazine (CID 10401507) is 4-ethyl-3-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]pyridazine.
What is the SMILES notation for 4-ethyl-3-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]pyridazine?
The canonical SMILES for 4-ethyl-3-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]pyridazine is CCc1ccnnc1Cn1ccnc1-c1cccc(F)c1.
What is the InChIKey of 4-ethyl-3-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]pyridazine?
The InChIKey is GTKUHPYXKPMJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4/c1-2-12-6-7-19-20-15(12)11-21-9-8-18-16(21)13-4-3-5-14(17)10-13/h3-10H,2,11H2,1H3.
What are the key properties of 4-ethyl-3-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]pyridazine?
4-ethyl-3-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]pyridazine has a molecular weight of 282.32 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]pyridazine is sourced from PubChem (CID 10401507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).