2-[3-amino-6-(2-oxo-2-pyridin-2-ylethyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-yl]-1-pyridin-2-ylethanone

C18H14N8O2 — CID 51059432

IUPAC2-[3-amino-6-(2-oxo-2-pyridin-2-ylethyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-yl]-1-pyridin-2-ylethanone
SMILESNc1nnc2nc(CC(=O)c3ccccn3)c(CC(=O)c3ccccn3)nn12
InChIInChI=1S/C18H14N8O2/c19-17-23-24-18-22-13(9-15(27)11-5-1-3-7-20-11)14(25-26(17)18)10-16(28)12-6-2-4-8-21-12/h1-8H,9-10H2,(H2,19,23)
InChIKeyLMWSHYYKUFPHSP-UHFFFAOYSA-N
MW374.36 g/mol
LogP0.74
Rot. Bonds6

About 2-[3-amino-6-(2-oxo-2-pyridin-2-ylethyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-yl]-1-pyridin-2-ylethanone

2-[3-amino-6-(2-oxo-2-pyridin-2-ylethyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-yl]-1-pyridin-2-ylethanone (PubChem CID 51059432) has the molecular formula C18H14N8O2 and a molecular weight of 374.36 g/mol. Its IUPAC name is 2-[3-amino-6-(2-oxo-2-pyridin-2-ylethyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-yl]-1-pyridin-2-ylethanone.

Molecular Properties

Compound Name2-[3-amino-6-(2-oxo-2-pyridin-2-ylethyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-yl]-1-pyridin-2-ylethanone
PubChem CID51059432
Molecular FormulaC18H14N8O2
Molecular Weight374.36 g/mol
Exact Mass374.12
IUPAC Name2-[3-amino-6-(2-oxo-2-pyridin-2-ylethyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-yl]-1-pyridin-2-ylethanone
SMILESNc1nnc2nc(CC(=O)c3ccccn3)c(CC(=O)c3ccccn3)nn12
InChIInChI=1S/C18H14N8O2/c19-17-23-24-18-22-13(9-15(27)11-5-1-3-7-20-11)14(25-26(17)18)10-16(28)12-6-2-4-8-21-12/h1-8H,9-10H2,(H2,19,23)
InChIKeyLMWSHYYKUFPHSP-UHFFFAOYSA-N
XLogP0.74
TPSA141.91 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.36
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 2-[3-amino-6-(2-oxo-2-pyridin-2-ylethyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-yl]-1-pyridin-2-ylethanone with MolForge

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Related Compounds

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US10336761, Example 315
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US10336761, Example 5
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[7-Ethyl-2-(2-pyridyl)pyrazolo[1,5-a]pyrimidin-5-yl](2-methylpiperidino)methanone
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Frequently Asked Questions

What is the IUPAC name of 2-[3-amino-6-(2-oxo-2-pyridin-2-ylethyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-yl]-1-pyridin-2-ylethanone?
The IUPAC name of 2-[3-amino-6-(2-oxo-2-pyridin-2-ylethyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-yl]-1-pyridin-2-ylethanone (CID 51059432) is 2-[3-amino-6-(2-oxo-2-pyridin-2-ylethyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-yl]-1-pyridin-2-ylethanone.
What is the SMILES notation for 2-[3-amino-6-(2-oxo-2-pyridin-2-ylethyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-yl]-1-pyridin-2-ylethanone?
The canonical SMILES for 2-[3-amino-6-(2-oxo-2-pyridin-2-ylethyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-yl]-1-pyridin-2-ylethanone is Nc1nnc2nc(CC(=O)c3ccccn3)c(CC(=O)c3ccccn3)nn12.
What is the InChIKey of 2-[3-amino-6-(2-oxo-2-pyridin-2-ylethyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-yl]-1-pyridin-2-ylethanone?
The InChIKey is LMWSHYYKUFPHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N8O2/c19-17-23-24-18-22-13(9-15(27)11-5-1-3-7-20-11)14(25-26(17)18)10-16(28)12-6-2-4-8-21-12/h1-8H,9-10H2,(H2,19,23).
What are the key properties of 2-[3-amino-6-(2-oxo-2-pyridin-2-ylethyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-yl]-1-pyridin-2-ylethanone?
2-[3-amino-6-(2-oxo-2-pyridin-2-ylethyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-yl]-1-pyridin-2-ylethanone has a molecular weight of 374.36 g/mol, XLogP of 0.74, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-amino-6-(2-oxo-2-pyridin-2-ylethyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-yl]-1-pyridin-2-ylethanone is sourced from PubChem (CID 51059432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).