7-(3-fluorophenyl)-3-(4-methylphenyl)-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one

C17H11FN4OS — CID 25239889

IUPAC7-(3-fluorophenyl)-3-(4-methylphenyl)-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
SMILESCc1ccc(-c2nnc3sc(-c4cccc(F)c4)nn3c2=O)cc1
InChIInChI=1S/C17H11FN4OS/c1-10-5-7-11(8-6-10)14-16(23)22-17(20-19-14)24-15(21-22)12-3-2-4-13(18)9-12/h2-9H,1H3
InChIKeyRCKSDTPWQSAKLU-UHFFFAOYSA-N
MW338.37 g/mol
LogP3.33
Rot. Bonds2

About 7-(3-fluorophenyl)-3-(4-methylphenyl)-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one

7-(3-fluorophenyl)-3-(4-methylphenyl)-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one (PubChem CID 25239889) has the molecular formula C17H11FN4OS and a molecular weight of 338.37 g/mol. Its IUPAC name is 7-(3-fluorophenyl)-3-(4-methylphenyl)-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one.

Molecular Properties

Compound Name7-(3-fluorophenyl)-3-(4-methylphenyl)-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
PubChem CID25239889
Molecular FormulaC17H11FN4OS
Molecular Weight338.37 g/mol
Exact Mass338.06
IUPAC Name7-(3-fluorophenyl)-3-(4-methylphenyl)-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
SMILESCc1ccc(-c2nnc3sc(-c4cccc(F)c4)nn3c2=O)cc1
InChIInChI=1S/C17H11FN4OS/c1-10-5-7-11(8-6-10)14-16(23)22-17(20-19-14)24-15(21-22)12-3-2-4-13(18)9-12/h2-9H,1H3
InChIKeyRCKSDTPWQSAKLU-UHFFFAOYSA-N
XLogP3.33
TPSA60.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(3-fluorophenyl)-3-(4-methylphenyl)-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one?
The IUPAC name of 7-(3-fluorophenyl)-3-(4-methylphenyl)-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one (CID 25239889) is 7-(3-fluorophenyl)-3-(4-methylphenyl)-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one.
What is the SMILES notation for 7-(3-fluorophenyl)-3-(4-methylphenyl)-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one?
The canonical SMILES for 7-(3-fluorophenyl)-3-(4-methylphenyl)-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one is Cc1ccc(-c2nnc3sc(-c4cccc(F)c4)nn3c2=O)cc1.
What is the InChIKey of 7-(3-fluorophenyl)-3-(4-methylphenyl)-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one?
The InChIKey is RCKSDTPWQSAKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FN4OS/c1-10-5-7-11(8-6-10)14-16(23)22-17(20-19-14)24-15(21-22)12-3-2-4-13(18)9-12/h2-9H,1H3.
What are the key properties of 7-(3-fluorophenyl)-3-(4-methylphenyl)-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one?
7-(3-fluorophenyl)-3-(4-methylphenyl)-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one has a molecular weight of 338.37 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-fluorophenyl)-3-(4-methylphenyl)-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one is sourced from PubChem (CID 25239889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).