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

C18H10F2N6S — CID 57406400

IUPAC6-[difluoro-(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinoline
SMILESFC(F)(c1ccc2ncccc2c1)c1nnc2ncc(-c3cccs3)nn12
InChIInChI=1S/C18H10F2N6S/c19-18(20,12-5-6-13-11(9-12)3-1-7-21-13)16-23-24-17-22-10-14(25-26(16)17)15-4-2-8-27-15/h1-10H
InChIKeyWUROLDIDHPTYAK-UHFFFAOYSA-N
MW380.38 g/mol
LogP3.94
Rot. Bonds3

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

6-[difluoro-(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinoline (PubChem CID 57406400) has the molecular formula C18H10F2N6S and a molecular weight of 380.38 g/mol. Its IUPAC name is 6-[difluoro-(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinoline.

Molecular Properties

Compound Name6-[difluoro-(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinoline
PubChem CID57406400
Molecular FormulaC18H10F2N6S
Molecular Weight380.38 g/mol
Exact Mass380.07
IUPAC Name6-[difluoro-(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinoline
SMILESFC(F)(c1ccc2ncccc2c1)c1nnc2ncc(-c3cccs3)nn12
InChIInChI=1S/C18H10F2N6S/c19-18(20,12-5-6-13-11(9-12)3-1-7-21-13)16-23-24-17-22-10-14(25-26(16)17)15-4-2-8-27-15/h1-10H
InChIKeyWUROLDIDHPTYAK-UHFFFAOYSA-N
XLogP3.94
TPSA68.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.38
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[difluoro-(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinoline?
The IUPAC name of 6-[difluoro-(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinoline (CID 57406400) is 6-[difluoro-(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-[difluoro-(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinoline?
The canonical SMILES for 6-[difluoro-(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinoline is FC(F)(c1ccc2ncccc2c1)c1nnc2ncc(-c3cccs3)nn12.
What is the InChIKey of 6-[difluoro-(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinoline?
The InChIKey is WUROLDIDHPTYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F2N6S/c19-18(20,12-5-6-13-11(9-12)3-1-7-21-13)16-23-24-17-22-10-14(25-26(16)17)15-4-2-8-27-15/h1-10H.
What are the key properties of 6-[difluoro-(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinoline?
6-[difluoro-(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinoline has a molecular weight of 380.38 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[difluoro-(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinoline is sourced from PubChem (CID 57406400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).