6-(3,5-dimethylpyrazol-1-yl)-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine

C8H8N8 — CID 578632

IUPAC6-(3,5-dimethylpyrazol-1-yl)-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine
SMILESCc1cc(C)n(-c2nnc3nncn3n2)n1
InChIInChI=1S/C8H8N8/c1-5-3-6(2)16(13-5)8-12-11-7-10-9-4-15(7)14-8/h3-4H,1-2H3
InChIKeyJOAXFAPQLUPYAB-UHFFFAOYSA-N
MW216.21 g/mol
LogP-0.28
Rot. Bonds1

About 6-(3,5-dimethylpyrazol-1-yl)-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine

6-(3,5-dimethylpyrazol-1-yl)-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine (PubChem CID 578632) has the molecular formula C8H8N8 and a molecular weight of 216.21 g/mol. Its IUPAC name is 6-(3,5-dimethylpyrazol-1-yl)-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine.

Molecular Properties

Compound Name6-(3,5-dimethylpyrazol-1-yl)-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine
PubChem CID578632
Molecular FormulaC8H8N8
Molecular Weight216.21 g/mol
Exact Mass216.09
IUPAC Name6-(3,5-dimethylpyrazol-1-yl)-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine
SMILESCc1cc(C)n(-c2nnc3nncn3n2)n1
InChIInChI=1S/C8H8N8/c1-5-3-6(2)16(13-5)8-12-11-7-10-9-4-15(7)14-8/h3-4H,1-2H3
InChIKeyJOAXFAPQLUPYAB-UHFFFAOYSA-N
XLogP-0.28
TPSA86.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.21
LogP ≤ 5-0.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine?
The IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine (CID 578632) is 6-(3,5-dimethylpyrazol-1-yl)-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine.
What is the SMILES notation for 6-(3,5-dimethylpyrazol-1-yl)-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine?
The canonical SMILES for 6-(3,5-dimethylpyrazol-1-yl)-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine is Cc1cc(C)n(-c2nnc3nncn3n2)n1.
What is the InChIKey of 6-(3,5-dimethylpyrazol-1-yl)-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine?
The InChIKey is JOAXFAPQLUPYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N8/c1-5-3-6(2)16(13-5)8-12-11-7-10-9-4-15(7)14-8/h3-4H,1-2H3.
What are the key properties of 6-(3,5-dimethylpyrazol-1-yl)-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine?
6-(3,5-dimethylpyrazol-1-yl)-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine has a molecular weight of 216.21 g/mol, XLogP of -0.28, 1 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylpyrazol-1-yl)-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine is sourced from PubChem (CID 578632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).