6-ethyl-2,7-dimethyl-5H-pyrazolo[1,5-b][1,2,4]triazole

C8H12N4 — CID 59872343

IUPAC6-ethyl-2,7-dimethyl-5H-pyrazolo[1,5-b][1,2,4]triazole
SMILESCCc1[nH]n2nc(C)nc2c1C
InChIInChI=1S/C8H12N4/c1-4-7-5(2)8-9-6(3)10-12(8)11-7/h11H,4H2,1-3H3
InChIKeyKWUPBYUGMSAFBM-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.24
Rot. Bonds1

About 6-ethyl-2,7-dimethyl-5H-pyrazolo[1,5-b][1,2,4]triazole

6-ethyl-2,7-dimethyl-5H-pyrazolo[1,5-b][1,2,4]triazole (PubChem CID 59872343) has the molecular formula C8H12N4 and a molecular weight of 164.21 g/mol. Its IUPAC name is 6-ethyl-2,7-dimethyl-5H-pyrazolo[1,5-b][1,2,4]triazole.

Molecular Properties

Compound Name6-ethyl-2,7-dimethyl-5H-pyrazolo[1,5-b][1,2,4]triazole
PubChem CID59872343
Molecular FormulaC8H12N4
Molecular Weight164.21 g/mol
Exact Mass164.11
IUPAC Name6-ethyl-2,7-dimethyl-5H-pyrazolo[1,5-b][1,2,4]triazole
SMILESCCc1[nH]n2nc(C)nc2c1C
InChIInChI=1S/C8H12N4/c1-4-7-5(2)8-9-6(3)10-12(8)11-7/h11H,4H2,1-3H3
InChIKeyKWUPBYUGMSAFBM-UHFFFAOYSA-N
XLogP1.24
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2,7-dimethyl-5H-pyrazolo[1,5-b][1,2,4]triazole?
The IUPAC name of 6-ethyl-2,7-dimethyl-5H-pyrazolo[1,5-b][1,2,4]triazole (CID 59872343) is 6-ethyl-2,7-dimethyl-5H-pyrazolo[1,5-b][1,2,4]triazole.
What is the SMILES notation for 6-ethyl-2,7-dimethyl-5H-pyrazolo[1,5-b][1,2,4]triazole?
The canonical SMILES for 6-ethyl-2,7-dimethyl-5H-pyrazolo[1,5-b][1,2,4]triazole is CCc1[nH]n2nc(C)nc2c1C.
What is the InChIKey of 6-ethyl-2,7-dimethyl-5H-pyrazolo[1,5-b][1,2,4]triazole?
The InChIKey is KWUPBYUGMSAFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4/c1-4-7-5(2)8-9-6(3)10-12(8)11-7/h11H,4H2,1-3H3.
What are the key properties of 6-ethyl-2,7-dimethyl-5H-pyrazolo[1,5-b][1,2,4]triazole?
6-ethyl-2,7-dimethyl-5H-pyrazolo[1,5-b][1,2,4]triazole has a molecular weight of 164.21 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2,7-dimethyl-5H-pyrazolo[1,5-b][1,2,4]triazole is sourced from PubChem (CID 59872343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).