2,6,7,7-tetramethylpyrazolo[1,5-b][1,2,4]triazole

C8H12N4 — CID 141234529

IUPAC2,6,7,7-tetramethylpyrazolo[1,5-b][1,2,4]triazole
SMILESCC1=Nn2nc(C)nc2C1(C)C
InChIInChI=1S/C8H12N4/c1-5-8(3,4)7-9-6(2)11-12(7)10-5/h1-4H3
InChIKeyVAVWUCBGUQOMCF-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.10
Rot. Bonds

About 2,6,7,7-tetramethylpyrazolo[1,5-b][1,2,4]triazole

2,6,7,7-tetramethylpyrazolo[1,5-b][1,2,4]triazole (PubChem CID 141234529) has the molecular formula C8H12N4 and a molecular weight of 164.21 g/mol. Its IUPAC name is 2,6,7,7-tetramethylpyrazolo[1,5-b][1,2,4]triazole.

Molecular Properties

Compound Name2,6,7,7-tetramethylpyrazolo[1,5-b][1,2,4]triazole
PubChem CID141234529
Molecular FormulaC8H12N4
Molecular Weight164.21 g/mol
Exact Mass164.11
IUPAC Name2,6,7,7-tetramethylpyrazolo[1,5-b][1,2,4]triazole
SMILESCC1=Nn2nc(C)nc2C1(C)C
InChIInChI=1S/C8H12N4/c1-5-8(3,4)7-9-6(2)11-12(7)10-5/h1-4H3
InChIKeyVAVWUCBGUQOMCF-UHFFFAOYSA-N
XLogP1.10
TPSA43.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-3-(trifluoromethyl)-7H-pyrazolo[5,1-c][1,2,4]triazole
CID 22944551
3-(heptan-3-yl)-6-methyl-7H-pyrazolo[5,1-c][1,2,4]triazole
CID 91700800
2,6-dimethyl-7H-pyrazolo[1,5-b][1,2,4]triazole
CID 18724706
3,6-dimethyl-7H-pyrazolo[5,1-c][1,2,4]triazole
CID 18724708
6-methyl-2-propan-2-yl-7H-pyrazolo[1,5-b][1,2,4]triazole
CID 22944513
1-ethyl-3,6-dimethyl-7H-pyrazolo[5,1-c][1,2,4]triazol-4-ium
CID 22944533
1,2-diethyl-6-methyl-7H-pyrazolo[1,5-b][1,2,4]triazol-1-ium
CID 22944544
N,2,6-trimethylpyrazolo[1,5-b][1,2,4]triazol-7-imine
CID 68009529
2,6,7-trimethyl-7H-pyrazolo[1,5-b][1,2,4]triazole
CID 90179580
3-Tert-butyl-5-ethyl-4-(2-methylbutan-2-yl)-1,2,4-triazole
CID 91376623
formaldehyde;N,2,6-trimethylpyrazolo[1,5-b][1,2,4]triazol-7-imine
CID 159590003
1-(2,6,7-Trimethylpyrazolo[1,5-b][1,2,4]triazol-7-yl)ethanethiol
CID 163674256

Frequently Asked Questions

What is the IUPAC name of 2,6,7,7-tetramethylpyrazolo[1,5-b][1,2,4]triazole?
The IUPAC name of 2,6,7,7-tetramethylpyrazolo[1,5-b][1,2,4]triazole (CID 141234529) is 2,6,7,7-tetramethylpyrazolo[1,5-b][1,2,4]triazole.
What is the SMILES notation for 2,6,7,7-tetramethylpyrazolo[1,5-b][1,2,4]triazole?
The canonical SMILES for 2,6,7,7-tetramethylpyrazolo[1,5-b][1,2,4]triazole is CC1=Nn2nc(C)nc2C1(C)C.
What is the InChIKey of 2,6,7,7-tetramethylpyrazolo[1,5-b][1,2,4]triazole?
The InChIKey is VAVWUCBGUQOMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4/c1-5-8(3,4)7-9-6(2)11-12(7)10-5/h1-4H3.
What are the key properties of 2,6,7,7-tetramethylpyrazolo[1,5-b][1,2,4]triazole?
2,6,7,7-tetramethylpyrazolo[1,5-b][1,2,4]triazole has a molecular weight of 164.21 g/mol, XLogP of 1.10, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,7,7-tetramethylpyrazolo[1,5-b][1,2,4]triazole is sourced from PubChem (CID 141234529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).