3-methyl-6-(3,4,5-trifluorophenyl)pyridazine

C11H7F3N2 — CID 74240365

IUPAC3-methyl-6-(3,4,5-trifluorophenyl)pyridazine
SMILESCc1ccc(-c2cc(F)c(F)c(F)c2)nn1
InChIInChI=1S/C11H7F3N2/c1-6-2-3-10(16-15-6)7-4-8(12)11(14)9(13)5-7/h2-5H,1H3
InChIKeyYIYYREQRUBTGOJ-UHFFFAOYSA-N
MW224.19 g/mol
LogP2.87
Rot. Bonds1

About 3-methyl-6-(3,4,5-trifluorophenyl)pyridazine

3-methyl-6-(3,4,5-trifluorophenyl)pyridazine (PubChem CID 74240365) has the molecular formula C11H7F3N2 and a molecular weight of 224.19 g/mol. Its IUPAC name is 3-methyl-6-(3,4,5-trifluorophenyl)pyridazine.

Molecular Properties

Compound Name3-methyl-6-(3,4,5-trifluorophenyl)pyridazine
PubChem CID74240365
Molecular FormulaC11H7F3N2
Molecular Weight224.19 g/mol
Exact Mass224.06
IUPAC Name3-methyl-6-(3,4,5-trifluorophenyl)pyridazine
SMILESCc1ccc(-c2cc(F)c(F)c(F)c2)nn1
InChIInChI=1S/C11H7F3N2/c1-6-2-3-10(16-15-6)7-4-8(12)11(14)9(13)5-7/h2-5H,1H3
InChIKeyYIYYREQRUBTGOJ-UHFFFAOYSA-N
XLogP2.87
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.19
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3-Chloro-6-phenylpyridazine
CID 88515
3-Phenylpyridazine
CID 193499
3-Methyl-5-phenylpyridazine
CID 2736934
3-Chloro-6-(2-methylbenzyl)pyridazine
CID 6404653
3-Benzyl-6-chloropyridazine
CID 6404535
3-Chloro-6-(4-methylphenyl)pyridazine
CID 2775558
3-Chloro-6-[(3-methylphenyl)methyl]pyridazine
CID 6404581
3-Pyridazineethanethioamide, 6-methyl-alpha-phenyl-
CID 6410538
3-Pyridazinamine, 4-methyl-6-phenyl-, monohydrochloride
CID 6410668
3-Chloro-6-[3-(trifluoromethyl)phenyl]pyridazine
CID 12449552
5-Methyl-6-phenylpyridazin-3-amine
CID 13735348
3-Chloro-6-(4-fluorophenyl)pyridazine
CID 6422444

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(3,4,5-trifluorophenyl)pyridazine?
The IUPAC name of 3-methyl-6-(3,4,5-trifluorophenyl)pyridazine (CID 74240365) is 3-methyl-6-(3,4,5-trifluorophenyl)pyridazine.
What is the SMILES notation for 3-methyl-6-(3,4,5-trifluorophenyl)pyridazine?
The canonical SMILES for 3-methyl-6-(3,4,5-trifluorophenyl)pyridazine is Cc1ccc(-c2cc(F)c(F)c(F)c2)nn1.
What is the InChIKey of 3-methyl-6-(3,4,5-trifluorophenyl)pyridazine?
The InChIKey is YIYYREQRUBTGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N2/c1-6-2-3-10(16-15-6)7-4-8(12)11(14)9(13)5-7/h2-5H,1H3.
What are the key properties of 3-methyl-6-(3,4,5-trifluorophenyl)pyridazine?
3-methyl-6-(3,4,5-trifluorophenyl)pyridazine has a molecular weight of 224.19 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(3,4,5-trifluorophenyl)pyridazine is sourced from PubChem (CID 74240365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).