5-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[(2-methylimidazol-1-yl)methyl]pyridazine

C16H12F4N4 — CID 10359623

IUPAC5-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[(2-methylimidazol-1-yl)methyl]pyridazine
SMILESCc1nccn1Cc1cc(-c2ccc(F)c(C(F)(F)F)c2)cnn1
InChIInChI=1S/C16H12F4N4/c1-10-21-4-5-24(10)9-13-6-12(8-22-23-13)11-2-3-15(17)14(7-11)16(18,19)20/h2-8H,9H2,1H3
InChIKeyCACFGJWYLOOSDX-UHFFFAOYSA-N
MW336.29 g/mol
LogP3.85
Rot. Bonds3

About 5-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[(2-methylimidazol-1-yl)methyl]pyridazine

5-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[(2-methylimidazol-1-yl)methyl]pyridazine (PubChem CID 10359623) has the molecular formula C16H12F4N4 and a molecular weight of 336.29 g/mol. Its IUPAC name is 5-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[(2-methylimidazol-1-yl)methyl]pyridazine.

Molecular Properties

Compound Name5-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[(2-methylimidazol-1-yl)methyl]pyridazine
PubChem CID10359623
Molecular FormulaC16H12F4N4
Molecular Weight336.29 g/mol
Exact Mass336.10
IUPAC Name5-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[(2-methylimidazol-1-yl)methyl]pyridazine
SMILESCc1nccn1Cc1cc(-c2ccc(F)c(C(F)(F)F)c2)cnn1
InChIInChI=1S/C16H12F4N4/c1-10-21-4-5-24(10)9-13-6-12(8-22-23-13)11-2-3-15(17)14(7-11)16(18,19)20/h2-8H,9H2,1H3
InChIKeyCACFGJWYLOOSDX-UHFFFAOYSA-N
XLogP3.85
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.29
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[(2-methylimidazol-1-yl)methyl]pyridazine?
The IUPAC name of 5-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[(2-methylimidazol-1-yl)methyl]pyridazine (CID 10359623) is 5-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[(2-methylimidazol-1-yl)methyl]pyridazine.
What is the SMILES notation for 5-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[(2-methylimidazol-1-yl)methyl]pyridazine?
The canonical SMILES for 5-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[(2-methylimidazol-1-yl)methyl]pyridazine is Cc1nccn1Cc1cc(-c2ccc(F)c(C(F)(F)F)c2)cnn1.
What is the InChIKey of 5-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[(2-methylimidazol-1-yl)methyl]pyridazine?
The InChIKey is CACFGJWYLOOSDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F4N4/c1-10-21-4-5-24(10)9-13-6-12(8-22-23-13)11-2-3-15(17)14(7-11)16(18,19)20/h2-8H,9H2,1H3.
What are the key properties of 5-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[(2-methylimidazol-1-yl)methyl]pyridazine?
5-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[(2-methylimidazol-1-yl)methyl]pyridazine has a molecular weight of 336.29 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[(2-methylimidazol-1-yl)methyl]pyridazine is sourced from PubChem (CID 10359623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).