3-phenyl-8-(2-phenylethynyl)-[1,2,4]triazolo[4,3-a]pyrazine

C19H12N4 — CID 135026654

IUPAC3-phenyl-8-(2-phenylethynyl)-[1,2,4]triazolo[4,3-a]pyrazine
SMILESC(#Cc1nccn2c(-c3ccccc3)nnc12)c1ccccc1
InChIInChI=1S/C19H12N4/c1-3-7-15(8-4-1)11-12-17-19-22-21-18(23(19)14-13-20-17)16-9-5-2-6-10-16/h1-10,13-14H
InChIKeyGOZDAGBJWSNYKQ-UHFFFAOYSA-N
MW296.33 g/mol
LogP3.19
Rot. Bonds1

About 3-phenyl-8-(2-phenylethynyl)-[1,2,4]triazolo[4,3-a]pyrazine

3-phenyl-8-(2-phenylethynyl)-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 135026654) has the molecular formula C19H12N4 and a molecular weight of 296.33 g/mol. Its IUPAC name is 3-phenyl-8-(2-phenylethynyl)-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-phenyl-8-(2-phenylethynyl)-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID135026654
Molecular FormulaC19H12N4
Molecular Weight296.33 g/mol
Exact Mass296.11
IUPAC Name3-phenyl-8-(2-phenylethynyl)-[1,2,4]triazolo[4,3-a]pyrazine
SMILESC(#Cc1nccn2c(-c3ccccc3)nnc12)c1ccccc1
InChIInChI=1S/C19H12N4/c1-3-7-15(8-4-1)11-12-17-19-22-21-18(23(19)14-13-20-17)16-9-5-2-6-10-16/h1-10,13-14H
InChIKeyGOZDAGBJWSNYKQ-UHFFFAOYSA-N
XLogP3.19
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-[[(3-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]methyl]benzonitrile
CID 171691050
3-phenyl-[1,2,4]triazolo[4,3-a]pyridin-8-ol
CID 117147107
(3-phenyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)methanamine
CID 82054849
2-((1,2-13C2)cyclohexatrienyl)ethynyl(1,2-13C2)cyclohexatriene
CID 150731469
2-phenyl-5-[4-(2-phenylethynyl)phenyl]-1,3,4-oxadiazole
CID 132584993
N-methyl-5-(4-methylphenyl)imidazo[1,2-d][1,2,4]triazin-8-amine
CID 177182562
2,4-diphenyl-3-(2-phenylethynyl)pyridine
CID 139203994
5,8-diphenyl-3,4,6,7,9,10-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2,4,8,10,12,14-heptaene
CID 71482704
8-chloro-3-(5-chloro-2-iodophenyl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 114030805
2-phenylethynylbenzene;hydrofluoride
CID 158259923
4-[3-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-yl]thiomorpholine
CID 171690665
4-hydroxy-3,5-diphenyl-1,2,4-triazole
CID 14382453

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-8-(2-phenylethynyl)-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-phenyl-8-(2-phenylethynyl)-[1,2,4]triazolo[4,3-a]pyrazine (CID 135026654) is 3-phenyl-8-(2-phenylethynyl)-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3-phenyl-8-(2-phenylethynyl)-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-phenyl-8-(2-phenylethynyl)-[1,2,4]triazolo[4,3-a]pyrazine is C(#Cc1nccn2c(-c3ccccc3)nnc12)c1ccccc1.
What is the InChIKey of 3-phenyl-8-(2-phenylethynyl)-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is GOZDAGBJWSNYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N4/c1-3-7-15(8-4-1)11-12-17-19-22-21-18(23(19)14-13-20-17)16-9-5-2-6-10-16/h1-10,13-14H.
What are the key properties of 3-phenyl-8-(2-phenylethynyl)-[1,2,4]triazolo[4,3-a]pyrazine?
3-phenyl-8-(2-phenylethynyl)-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 296.33 g/mol, XLogP of 3.19, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-8-(2-phenylethynyl)-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 135026654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).