2-phenyl-1-[4-([1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-yl)piperazin-1-yl]ethanone

C15H16N8O — CID 127043005

IUPAC2-phenyl-1-[4-([1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-yl)piperazin-1-yl]ethanone
SMILESO=C(Cc1ccccc1)N1CCN(c2nnc3nncn3n2)CC1
InChIInChI=1S/C15H16N8O/c24-13(10-12-4-2-1-3-5-12)21-6-8-22(9-7-21)15-19-18-14-17-16-11-23(14)20-15/h1-5,11H,6-10H2
InChIKeyLUGQPSOEQOALRY-UHFFFAOYSA-N
MW324.35 g/mol
LogP-0.19
Rot. Bonds3

About 2-phenyl-1-[4-([1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-yl)piperazin-1-yl]ethanone

2-phenyl-1-[4-([1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-yl)piperazin-1-yl]ethanone (PubChem CID 127043005) has the molecular formula C15H16N8O and a molecular weight of 324.35 g/mol. Its IUPAC name is 2-phenyl-1-[4-([1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-phenyl-1-[4-([1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-yl)piperazin-1-yl]ethanone
PubChem CID127043005
Molecular FormulaC15H16N8O
Molecular Weight324.35 g/mol
Exact Mass324.14
IUPAC Name2-phenyl-1-[4-([1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-yl)piperazin-1-yl]ethanone
SMILESO=C(Cc1ccccc1)N1CCN(c2nnc3nncn3n2)CC1
InChIInChI=1S/C15H16N8O/c24-13(10-12-4-2-1-3-5-12)21-6-8-22(9-7-21)15-19-18-14-17-16-11-23(14)20-15/h1-5,11H,6-10H2
InChIKeyLUGQPSOEQOALRY-UHFFFAOYSA-N
XLogP-0.19
TPSA92.41 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.35
LogP ≤ 5-0.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-[4-([1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-yl)piperazin-1-yl]ethanone?
The IUPAC name of 2-phenyl-1-[4-([1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-yl)piperazin-1-yl]ethanone (CID 127043005) is 2-phenyl-1-[4-([1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-phenyl-1-[4-([1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-phenyl-1-[4-([1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-yl)piperazin-1-yl]ethanone is O=C(Cc1ccccc1)N1CCN(c2nnc3nncn3n2)CC1.
What is the InChIKey of 2-phenyl-1-[4-([1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-yl)piperazin-1-yl]ethanone?
The InChIKey is LUGQPSOEQOALRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N8O/c24-13(10-12-4-2-1-3-5-12)21-6-8-22(9-7-21)15-19-18-14-17-16-11-23(14)20-15/h1-5,11H,6-10H2.
What are the key properties of 2-phenyl-1-[4-([1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-yl)piperazin-1-yl]ethanone?
2-phenyl-1-[4-([1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-yl)piperazin-1-yl]ethanone has a molecular weight of 324.35 g/mol, XLogP of -0.19, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-[4-([1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 127043005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).