7-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methoxy]thieno[3,2-b]pyridine

C18H11FN6OS — CID 70677258

IUPAC7-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methoxy]thieno[3,2-b]pyridine
SMILESFc1ccc(-c2cnc3nnc(COc4ccnc5ccsc45)n3n2)cc1
InChIInChI=1S/C18H11FN6OS/c19-12-3-1-11(2-4-12)14-9-21-18-23-22-16(25(18)24-14)10-26-15-5-7-20-13-6-8-27-17(13)15/h1-9H,10H2
InChIKeyDZWZUPWXIBCAEV-UHFFFAOYSA-N
MW378.39 g/mol
LogP3.51
Rot. Bonds4

About 7-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methoxy]thieno[3,2-b]pyridine

7-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methoxy]thieno[3,2-b]pyridine (PubChem CID 70677258) has the molecular formula C18H11FN6OS and a molecular weight of 378.39 g/mol. Its IUPAC name is 7-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methoxy]thieno[3,2-b]pyridine.

Molecular Properties

Compound Name7-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methoxy]thieno[3,2-b]pyridine
PubChem CID70677258
Molecular FormulaC18H11FN6OS
Molecular Weight378.39 g/mol
Exact Mass378.07
IUPAC Name7-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methoxy]thieno[3,2-b]pyridine
SMILESFc1ccc(-c2cnc3nnc(COc4ccnc5ccsc45)n3n2)cc1
InChIInChI=1S/C18H11FN6OS/c19-12-3-1-11(2-4-12)14-9-21-18-23-22-16(25(18)24-14)10-26-15-5-7-20-13-6-8-27-17(13)15/h1-9H,10H2
InChIKeyDZWZUPWXIBCAEV-UHFFFAOYSA-N
XLogP3.51
TPSA78.09 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methoxy]thieno[3,2-b]pyridine?
The IUPAC name of 7-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methoxy]thieno[3,2-b]pyridine (CID 70677258) is 7-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methoxy]thieno[3,2-b]pyridine.
What is the SMILES notation for 7-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methoxy]thieno[3,2-b]pyridine?
The canonical SMILES for 7-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methoxy]thieno[3,2-b]pyridine is Fc1ccc(-c2cnc3nnc(COc4ccnc5ccsc45)n3n2)cc1.
What is the InChIKey of 7-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methoxy]thieno[3,2-b]pyridine?
The InChIKey is DZWZUPWXIBCAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11FN6OS/c19-12-3-1-11(2-4-12)14-9-21-18-23-22-16(25(18)24-14)10-26-15-5-7-20-13-6-8-27-17(13)15/h1-9H,10H2.
What are the key properties of 7-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methoxy]thieno[3,2-b]pyridine?
7-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methoxy]thieno[3,2-b]pyridine has a molecular weight of 378.39 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methoxy]thieno[3,2-b]pyridine is sourced from PubChem (CID 70677258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).