5,8-dimethyl-3-phenyl-[1,2,4]triazolo[4,3-a]pyrazine

C13H12N4 — CID 614138

IUPAC5,8-dimethyl-3-phenyl-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCc1ncc(C)n2c(-c3ccccc3)nnc12
InChIInChI=1S/C13H12N4/c1-9-8-14-10(2)12-15-16-13(17(9)12)11-6-4-3-5-7-11/h3-8H,1-2H3
InChIKeyYJPWLXCCSFKUEK-UHFFFAOYSA-N
MW224.27 g/mol
LogP2.41
Rot. Bonds1

About 5,8-dimethyl-3-phenyl-[1,2,4]triazolo[4,3-a]pyrazine

5,8-dimethyl-3-phenyl-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 614138) has the molecular formula C13H12N4 and a molecular weight of 224.27 g/mol. Its IUPAC name is 5,8-dimethyl-3-phenyl-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name5,8-dimethyl-3-phenyl-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID614138
Molecular FormulaC13H12N4
Molecular Weight224.27 g/mol
Exact Mass224.11
IUPAC Name5,8-dimethyl-3-phenyl-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCc1ncc(C)n2c(-c3ccccc3)nnc12
InChIInChI=1S/C13H12N4/c1-9-8-14-10(2)12-15-16-13(17(9)12)11-6-4-3-5-7-11/h3-8H,1-2H3
InChIKeyYJPWLXCCSFKUEK-UHFFFAOYSA-N
XLogP2.41
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,8-dimethyl-3-phenyl-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 5,8-dimethyl-3-phenyl-[1,2,4]triazolo[4,3-a]pyrazine (CID 614138) is 5,8-dimethyl-3-phenyl-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 5,8-dimethyl-3-phenyl-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 5,8-dimethyl-3-phenyl-[1,2,4]triazolo[4,3-a]pyrazine is Cc1ncc(C)n2c(-c3ccccc3)nnc12.
What is the InChIKey of 5,8-dimethyl-3-phenyl-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is YJPWLXCCSFKUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4/c1-9-8-14-10(2)12-15-16-13(17(9)12)11-6-4-3-5-7-11/h3-8H,1-2H3.
What are the key properties of 5,8-dimethyl-3-phenyl-[1,2,4]triazolo[4,3-a]pyrazine?
5,8-dimethyl-3-phenyl-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 224.27 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dimethyl-3-phenyl-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 614138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).