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

C14H18N8 — CID 134154960

IUPAC3-cyclohexyl-6-(3,5-dimethylpyrazol-1-yl)-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine
SMILESCc1cc(C)n(-c2nnc3nnc(C4CCCCC4)n3n2)n1
InChIInChI=1S/C14H18N8/c1-9-8-10(2)21(19-9)14-18-17-13-16-15-12(22(13)20-14)11-6-4-3-5-7-11/h8,11H,3-7H2,1-2H3
InChIKeyUWJANMAPEBHZCK-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.76
Rot. Bonds2

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

3-cyclohexyl-6-(3,5-dimethylpyrazol-1-yl)-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine (PubChem CID 134154960) has the molecular formula C14H18N8 and a molecular weight of 298.35 g/mol. Its IUPAC name is 3-cyclohexyl-6-(3,5-dimethylpyrazol-1-yl)-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine.

Molecular Properties

Compound Name3-cyclohexyl-6-(3,5-dimethylpyrazol-1-yl)-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine
PubChem CID134154960
Molecular FormulaC14H18N8
Molecular Weight298.35 g/mol
Exact Mass298.17
IUPAC Name3-cyclohexyl-6-(3,5-dimethylpyrazol-1-yl)-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine
SMILESCc1cc(C)n(-c2nnc3nnc(C4CCCCC4)n3n2)n1
InChIInChI=1S/C14H18N8/c1-9-8-10(2)21(19-9)14-18-17-13-16-15-12(22(13)20-14)11-6-4-3-5-7-11/h8,11H,3-7H2,1-2H3
InChIKeyUWJANMAPEBHZCK-UHFFFAOYSA-N
XLogP1.76
TPSA86.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-cyclohexyl-6-(3,5-dimethylpyrazol-1-yl)-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine 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-cyclohexyl-6-(3,5-dimethylpyrazol-1-yl)-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine?
The IUPAC name of 3-cyclohexyl-6-(3,5-dimethylpyrazol-1-yl)-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine (CID 134154960) is 3-cyclohexyl-6-(3,5-dimethylpyrazol-1-yl)-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine.
What is the SMILES notation for 3-cyclohexyl-6-(3,5-dimethylpyrazol-1-yl)-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine?
The canonical SMILES for 3-cyclohexyl-6-(3,5-dimethylpyrazol-1-yl)-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine is Cc1cc(C)n(-c2nnc3nnc(C4CCCCC4)n3n2)n1.
What is the InChIKey of 3-cyclohexyl-6-(3,5-dimethylpyrazol-1-yl)-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine?
The InChIKey is UWJANMAPEBHZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N8/c1-9-8-10(2)21(19-9)14-18-17-13-16-15-12(22(13)20-14)11-6-4-3-5-7-11/h8,11H,3-7H2,1-2H3.
What are the key properties of 3-cyclohexyl-6-(3,5-dimethylpyrazol-1-yl)-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine?
3-cyclohexyl-6-(3,5-dimethylpyrazol-1-yl)-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine has a molecular weight of 298.35 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-6-(3,5-dimethylpyrazol-1-yl)-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine is sourced from PubChem (CID 134154960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).