6-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinoline

C18H12N6S — CID 57405873

IUPAC6-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinoline
SMILESc1csc(-c2cnc3nnc(Cc4ccc5ncccc5c4)n3n2)c1
InChIInChI=1S/C18H12N6S/c1-3-13-9-12(5-6-14(13)19-7-1)10-17-21-22-18-20-11-15(23-24(17)18)16-4-2-8-25-16/h1-9,11H,10H2
InChIKeyMKUXNZPSCDJUTR-UHFFFAOYSA-N
MW344.40 g/mol
LogP3.39
Rot. Bonds3

About 6-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinoline

6-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinoline (PubChem CID 57405873) has the molecular formula C18H12N6S and a molecular weight of 344.40 g/mol. Its IUPAC name is 6-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinoline.

Molecular Properties

Compound Name6-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinoline
PubChem CID57405873
Molecular FormulaC18H12N6S
Molecular Weight344.40 g/mol
Exact Mass344.08
IUPAC Name6-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinoline
SMILESc1csc(-c2cnc3nnc(Cc4ccc5ncccc5c4)n3n2)c1
InChIInChI=1S/C18H12N6S/c1-3-13-9-12(5-6-14(13)19-7-1)10-17-21-22-18-20-11-15(23-24(17)18)16-4-2-8-25-16/h1-9,11H,10H2
InChIKeyMKUXNZPSCDJUTR-UHFFFAOYSA-N
XLogP3.39
TPSA68.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinoline?
The IUPAC name of 6-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinoline (CID 57405873) is 6-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinoline.
What is the SMILES notation for 6-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinoline?
The canonical SMILES for 6-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinoline is c1csc(-c2cnc3nnc(Cc4ccc5ncccc5c4)n3n2)c1.
What is the InChIKey of 6-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinoline?
The InChIKey is MKUXNZPSCDJUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N6S/c1-3-13-9-12(5-6-14(13)19-7-1)10-17-21-22-18-20-11-15(23-24(17)18)16-4-2-8-25-16/h1-9,11H,10H2.
What are the key properties of 6-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinoline?
6-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinoline has a molecular weight of 344.40 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinoline is sourced from PubChem (CID 57405873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).