3-ethyl-6-phenyl-5H-pyrazolo[5,1-c][1,2,4]triazole

C12H12N4 — CID 2753166

IUPAC3-ethyl-6-phenyl-5H-pyrazolo[5,1-c][1,2,4]triazole
SMILESCCc1nnc2cc(-c3ccccc3)[nH]n12
InChIInChI=1S/C12H12N4/c1-2-11-13-14-12-8-10(15-16(11)12)9-6-4-3-5-7-9/h3-8,15H,2H2,1H3
InChIKeyFWBSBAIFQIBNJY-UHFFFAOYSA-N
MW212.26 g/mol
LogP2.29
Rot. Bonds2

About 3-ethyl-6-phenyl-5H-pyrazolo[5,1-c][1,2,4]triazole

3-ethyl-6-phenyl-5H-pyrazolo[5,1-c][1,2,4]triazole (PubChem CID 2753166) has the molecular formula C12H12N4 and a molecular weight of 212.26 g/mol. Its IUPAC name is 3-ethyl-6-phenyl-5H-pyrazolo[5,1-c][1,2,4]triazole.

Molecular Properties

Compound Name3-ethyl-6-phenyl-5H-pyrazolo[5,1-c][1,2,4]triazole
PubChem CID2753166
Molecular FormulaC12H12N4
Molecular Weight212.26 g/mol
Exact Mass212.11
IUPAC Name3-ethyl-6-phenyl-5H-pyrazolo[5,1-c][1,2,4]triazole
SMILESCCc1nnc2cc(-c3ccccc3)[nH]n12
InChIInChI=1S/C12H12N4/c1-2-11-13-14-12-8-10(15-16(11)12)9-6-4-3-5-7-9/h3-8,15H,2H2,1H3
InChIKeyFWBSBAIFQIBNJY-UHFFFAOYSA-N
XLogP2.29
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-phenyl-5H-pyrazolo[5,1-c][1,2,4]triazole?
The IUPAC name of 3-ethyl-6-phenyl-5H-pyrazolo[5,1-c][1,2,4]triazole (CID 2753166) is 3-ethyl-6-phenyl-5H-pyrazolo[5,1-c][1,2,4]triazole.
What is the SMILES notation for 3-ethyl-6-phenyl-5H-pyrazolo[5,1-c][1,2,4]triazole?
The canonical SMILES for 3-ethyl-6-phenyl-5H-pyrazolo[5,1-c][1,2,4]triazole is CCc1nnc2cc(-c3ccccc3)[nH]n12.
What is the InChIKey of 3-ethyl-6-phenyl-5H-pyrazolo[5,1-c][1,2,4]triazole?
The InChIKey is FWBSBAIFQIBNJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4/c1-2-11-13-14-12-8-10(15-16(11)12)9-6-4-3-5-7-9/h3-8,15H,2H2,1H3.
What are the key properties of 3-ethyl-6-phenyl-5H-pyrazolo[5,1-c][1,2,4]triazole?
3-ethyl-6-phenyl-5H-pyrazolo[5,1-c][1,2,4]triazole has a molecular weight of 212.26 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-phenyl-5H-pyrazolo[5,1-c][1,2,4]triazole is sourced from PubChem (CID 2753166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).