3-ethyl-6,7-dimethyl-7,7a-dihydro-1H-pyrazolo[5,1-c][1,2,4]triazole

C8H14N4 — CID 149379015

IUPAC3-ethyl-6,7-dimethyl-7,7a-dihydro-1H-pyrazolo[5,1-c][1,2,4]triazole
SMILESCCC1=NNC2C(C)C(C)=NN12
InChIInChI=1S/C8H14N4/c1-4-7-9-10-8-5(2)6(3)11-12(7)8/h5,8,10H,4H2,1-3H3
InChIKeyYLHAINUGSXRUBD-UHFFFAOYSA-N
MW166.23 g/mol
LogP0.97
Rot. Bonds1

About 3-ethyl-6,7-dimethyl-7,7a-dihydro-1H-pyrazolo[5,1-c][1,2,4]triazole

3-ethyl-6,7-dimethyl-7,7a-dihydro-1H-pyrazolo[5,1-c][1,2,4]triazole (PubChem CID 149379015) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is 3-ethyl-6,7-dimethyl-7,7a-dihydro-1H-pyrazolo[5,1-c][1,2,4]triazole.

Molecular Properties

Compound Name3-ethyl-6,7-dimethyl-7,7a-dihydro-1H-pyrazolo[5,1-c][1,2,4]triazole
PubChem CID149379015
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC Name3-ethyl-6,7-dimethyl-7,7a-dihydro-1H-pyrazolo[5,1-c][1,2,4]triazole
SMILESCCC1=NNC2C(C)C(C)=NN12
InChIInChI=1S/C8H14N4/c1-4-7-9-10-8-5(2)6(3)11-12(7)8/h5,8,10H,4H2,1-3H3
InChIKeyYLHAINUGSXRUBD-UHFFFAOYSA-N
XLogP0.97
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-ethyl-6,7-dimethyl-7,7a-dihydro-1H-pyrazolo[5,1-c][1,2,4]triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6,7-dimethyl-7,7a-dihydro-1H-pyrazolo[5,1-c][1,2,4]triazole?
The IUPAC name of 3-ethyl-6,7-dimethyl-7,7a-dihydro-1H-pyrazolo[5,1-c][1,2,4]triazole (CID 149379015) is 3-ethyl-6,7-dimethyl-7,7a-dihydro-1H-pyrazolo[5,1-c][1,2,4]triazole.
What is the SMILES notation for 3-ethyl-6,7-dimethyl-7,7a-dihydro-1H-pyrazolo[5,1-c][1,2,4]triazole?
The canonical SMILES for 3-ethyl-6,7-dimethyl-7,7a-dihydro-1H-pyrazolo[5,1-c][1,2,4]triazole is CCC1=NNC2C(C)C(C)=NN12.
What is the InChIKey of 3-ethyl-6,7-dimethyl-7,7a-dihydro-1H-pyrazolo[5,1-c][1,2,4]triazole?
The InChIKey is YLHAINUGSXRUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4/c1-4-7-9-10-8-5(2)6(3)11-12(7)8/h5,8,10H,4H2,1-3H3.
What are the key properties of 3-ethyl-6,7-dimethyl-7,7a-dihydro-1H-pyrazolo[5,1-c][1,2,4]triazole?
3-ethyl-6,7-dimethyl-7,7a-dihydro-1H-pyrazolo[5,1-c][1,2,4]triazole has a molecular weight of 166.23 g/mol, XLogP of 0.97, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6,7-dimethyl-7,7a-dihydro-1H-pyrazolo[5,1-c][1,2,4]triazole is sourced from PubChem (CID 149379015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).