3,6-dimethyl-4-thiophen-2-yl-5-(2,4,6-trifluorophenyl)pyridazine

C16H11F3N2S — CID 68712830

IUPAC3,6-dimethyl-4-thiophen-2-yl-5-(2,4,6-trifluorophenyl)pyridazine
SMILESCc1nnc(C)c(-c2c(F)cc(F)cc2F)c1-c1cccs1
InChIInChI=1S/C16H11F3N2S/c1-8-14(13-4-3-5-22-13)15(9(2)21-20-8)16-11(18)6-10(17)7-12(16)19/h3-7H,1-2H3
InChIKeySMZCRKDLEKLMFA-UHFFFAOYSA-N
MW320.34 g/mol
LogP4.91
Rot. Bonds2

About 3,6-dimethyl-4-thiophen-2-yl-5-(2,4,6-trifluorophenyl)pyridazine

3,6-dimethyl-4-thiophen-2-yl-5-(2,4,6-trifluorophenyl)pyridazine (PubChem CID 68712830) has the molecular formula C16H11F3N2S and a molecular weight of 320.34 g/mol. Its IUPAC name is 3,6-dimethyl-4-thiophen-2-yl-5-(2,4,6-trifluorophenyl)pyridazine.

Molecular Properties

Compound Name3,6-dimethyl-4-thiophen-2-yl-5-(2,4,6-trifluorophenyl)pyridazine
PubChem CID68712830
Molecular FormulaC16H11F3N2S
Molecular Weight320.34 g/mol
Exact Mass320.06
IUPAC Name3,6-dimethyl-4-thiophen-2-yl-5-(2,4,6-trifluorophenyl)pyridazine
SMILESCc1nnc(C)c(-c2c(F)cc(F)cc2F)c1-c1cccs1
InChIInChI=1S/C16H11F3N2S/c1-8-14(13-4-3-5-22-13)15(9(2)21-20-8)16-11(18)6-10(17)7-12(16)19/h3-7H,1-2H3
InChIKeySMZCRKDLEKLMFA-UHFFFAOYSA-N
XLogP4.91
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-4-thiophen-2-yl-5-(2,4,6-trifluorophenyl)pyridazine?
The IUPAC name of 3,6-dimethyl-4-thiophen-2-yl-5-(2,4,6-trifluorophenyl)pyridazine (CID 68712830) is 3,6-dimethyl-4-thiophen-2-yl-5-(2,4,6-trifluorophenyl)pyridazine.
What is the SMILES notation for 3,6-dimethyl-4-thiophen-2-yl-5-(2,4,6-trifluorophenyl)pyridazine?
The canonical SMILES for 3,6-dimethyl-4-thiophen-2-yl-5-(2,4,6-trifluorophenyl)pyridazine is Cc1nnc(C)c(-c2c(F)cc(F)cc2F)c1-c1cccs1.
What is the InChIKey of 3,6-dimethyl-4-thiophen-2-yl-5-(2,4,6-trifluorophenyl)pyridazine?
The InChIKey is SMZCRKDLEKLMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2S/c1-8-14(13-4-3-5-22-13)15(9(2)21-20-8)16-11(18)6-10(17)7-12(16)19/h3-7H,1-2H3.
What are the key properties of 3,6-dimethyl-4-thiophen-2-yl-5-(2,4,6-trifluorophenyl)pyridazine?
3,6-dimethyl-4-thiophen-2-yl-5-(2,4,6-trifluorophenyl)pyridazine has a molecular weight of 320.34 g/mol, XLogP of 4.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-4-thiophen-2-yl-5-(2,4,6-trifluorophenyl)pyridazine is sourced from PubChem (CID 68712830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).