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

C10H12N8 — CID 134155477

IUPAC6-(3,5-dimethylpyrazol-1-yl)-3-ethyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine
SMILESCCc1nnc2nnc(-n3nc(C)cc3C)nn12
InChIInChI=1S/C10H12N8/c1-4-8-11-12-9-13-14-10(16-18(8)9)17-7(3)5-6(2)15-17/h5H,4H2,1-3H3
InChIKeyTVYGXFXBKQUQFI-UHFFFAOYSA-N
MW244.26 g/mol
LogP0.28
Rot. Bonds2

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

6-(3,5-dimethylpyrazol-1-yl)-3-ethyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine (PubChem CID 134155477) has the molecular formula C10H12N8 and a molecular weight of 244.26 g/mol. Its IUPAC name is 6-(3,5-dimethylpyrazol-1-yl)-3-ethyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine.

Molecular Properties

Compound Name6-(3,5-dimethylpyrazol-1-yl)-3-ethyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine
PubChem CID134155477
Molecular FormulaC10H12N8
Molecular Weight244.26 g/mol
Exact Mass244.12
IUPAC Name6-(3,5-dimethylpyrazol-1-yl)-3-ethyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine
SMILESCCc1nnc2nnc(-n3nc(C)cc3C)nn12
InChIInChI=1S/C10H12N8/c1-4-8-11-12-9-13-14-10(16-18(8)9)17-7(3)5-6(2)15-17/h5H,4H2,1-3H3
InChIKeyTVYGXFXBKQUQFI-UHFFFAOYSA-N
XLogP0.28
TPSA86.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 50.28
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)-3-ethyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine?
The IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-3-ethyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine (CID 134155477) is 6-(3,5-dimethylpyrazol-1-yl)-3-ethyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine.
What is the SMILES notation for 6-(3,5-dimethylpyrazol-1-yl)-3-ethyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine?
The canonical SMILES for 6-(3,5-dimethylpyrazol-1-yl)-3-ethyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine is CCc1nnc2nnc(-n3nc(C)cc3C)nn12.
What is the InChIKey of 6-(3,5-dimethylpyrazol-1-yl)-3-ethyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine?
The InChIKey is TVYGXFXBKQUQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N8/c1-4-8-11-12-9-13-14-10(16-18(8)9)17-7(3)5-6(2)15-17/h5H,4H2,1-3H3.
What are the key properties of 6-(3,5-dimethylpyrazol-1-yl)-3-ethyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine?
6-(3,5-dimethylpyrazol-1-yl)-3-ethyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine has a molecular weight of 244.26 g/mol, XLogP of 0.28, 2 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)-3-ethyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine is sourced from PubChem (CID 134155477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).