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

C8H12N8 — CID 127045182

IUPAC6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine
SMILESCN1CCN(c2nnc3nncn3n2)CC1
InChIInChI=1S/C8H12N8/c1-14-2-4-15(5-3-14)8-12-11-7-10-9-6-16(7)13-8/h6H,2-5H2,1H3
InChIKeyVJLMIRXMYKGZHY-UHFFFAOYSA-N
MW220.24 g/mol
LogP-1.33
Rot. Bonds1

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

6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine (PubChem CID 127045182) has the molecular formula C8H12N8 and a molecular weight of 220.24 g/mol. Its IUPAC name is 6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine.

Molecular Properties

Compound Name6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine
PubChem CID127045182
Molecular FormulaC8H12N8
Molecular Weight220.24 g/mol
Exact Mass220.12
IUPAC Name6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine
SMILESCN1CCN(c2nnc3nncn3n2)CC1
InChIInChI=1S/C8H12N8/c1-14-2-4-15(5-3-14)8-12-11-7-10-9-6-16(7)13-8/h6H,2-5H2,1H3
InChIKeyVJLMIRXMYKGZHY-UHFFFAOYSA-N
XLogP-1.33
TPSA75.34 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 5-1.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine?
The IUPAC name of 6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine (CID 127045182) is 6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine.
What is the SMILES notation for 6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine?
The canonical SMILES for 6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine is CN1CCN(c2nnc3nncn3n2)CC1.
What is the InChIKey of 6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine?
The InChIKey is VJLMIRXMYKGZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N8/c1-14-2-4-15(5-3-14)8-12-11-7-10-9-6-16(7)13-8/h6H,2-5H2,1H3.
What are the key properties of 6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine?
6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine has a molecular weight of 220.24 g/mol, XLogP of -1.33, 1 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine is sourced from PubChem (CID 127045182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).