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

C11H14N8 — CID 134137918

IUPAC6-(3,5-dimethylpyrazol-1-yl)-3-propan-2-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine
SMILESCc1cc(C)n(-c2nnc3nnc(C(C)C)n3n2)n1
InChIInChI=1S/C11H14N8/c1-6(2)9-12-13-10-14-15-11(17-19(9)10)18-8(4)5-7(3)16-18/h5-6H,1-4H3
InChIKeyBHBXQZHWQZLGLK-UHFFFAOYSA-N
MW258.29 g/mol
LogP0.84
Rot. Bonds2

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

6-(3,5-dimethylpyrazol-1-yl)-3-propan-2-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine (PubChem CID 134137918) has the molecular formula C11H14N8 and a molecular weight of 258.29 g/mol. Its IUPAC name is 6-(3,5-dimethylpyrazol-1-yl)-3-propan-2-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine.

Molecular Properties

Compound Name6-(3,5-dimethylpyrazol-1-yl)-3-propan-2-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine
PubChem CID134137918
Molecular FormulaC11H14N8
Molecular Weight258.29 g/mol
Exact Mass258.13
IUPAC Name6-(3,5-dimethylpyrazol-1-yl)-3-propan-2-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine
SMILESCc1cc(C)n(-c2nnc3nnc(C(C)C)n3n2)n1
InChIInChI=1S/C11H14N8/c1-6(2)9-12-13-10-14-15-11(17-19(9)10)18-8(4)5-7(3)16-18/h5-6H,1-4H3
InChIKeyBHBXQZHWQZLGLK-UHFFFAOYSA-N
XLogP0.84
TPSA86.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 50.84
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-propan-2-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine?
The IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-3-propan-2-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine (CID 134137918) is 6-(3,5-dimethylpyrazol-1-yl)-3-propan-2-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)-3-propan-2-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine?
The canonical SMILES for 6-(3,5-dimethylpyrazol-1-yl)-3-propan-2-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine is Cc1cc(C)n(-c2nnc3nnc(C(C)C)n3n2)n1.
What is the InChIKey of 6-(3,5-dimethylpyrazol-1-yl)-3-propan-2-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine?
The InChIKey is BHBXQZHWQZLGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N8/c1-6(2)9-12-13-10-14-15-11(17-19(9)10)18-8(4)5-7(3)16-18/h5-6H,1-4H3.
What are the key properties of 6-(3,5-dimethylpyrazol-1-yl)-3-propan-2-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine?
6-(3,5-dimethylpyrazol-1-yl)-3-propan-2-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine has a molecular weight of 258.29 g/mol, XLogP of 0.84, 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-propan-2-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine is sourced from PubChem (CID 134137918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).