3,5,6-triphenylpyrazine-2-carbonitrile

C23H15N3 — CID 134914114

IUPAC3,5,6-triphenylpyrazine-2-carbonitrile
SMILESN#Cc1nc(-c2ccccc2)c(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C23H15N3/c24-16-20-21(17-10-4-1-5-11-17)26-23(19-14-8-3-9-15-19)22(25-20)18-12-6-2-7-13-18/h1-15H
InChIKeyFFPVMUWCTOYKEP-UHFFFAOYSA-N
MW333.39 g/mol
LogP5.35
Rot. Bonds3

About 3,5,6-triphenylpyrazine-2-carbonitrile

3,5,6-triphenylpyrazine-2-carbonitrile (PubChem CID 134914114) has the molecular formula C23H15N3 and a molecular weight of 333.39 g/mol. Its IUPAC name is 3,5,6-triphenylpyrazine-2-carbonitrile.

Molecular Properties

Compound Name3,5,6-triphenylpyrazine-2-carbonitrile
PubChem CID134914114
Molecular FormulaC23H15N3
Molecular Weight333.39 g/mol
Exact Mass333.13
IUPAC Name3,5,6-triphenylpyrazine-2-carbonitrile
SMILESN#Cc1nc(-c2ccccc2)c(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C23H15N3/c24-16-20-21(17-10-4-1-5-11-17)26-23(19-14-8-3-9-15-19)22(25-20)18-12-6-2-7-13-18/h1-15H
InChIKeyFFPVMUWCTOYKEP-UHFFFAOYSA-N
XLogP5.35
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.39
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

16,17-diphenyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaene-4,5,10,11-tetracarbonitrile
CID 71131770
3-(3-cyano-4-fluorophenyl)-5,6-diphenylpyrazine-2-carbonitrile
CID 167011867
3-isocyano-5,6-diphenylpyrazine-2-carbonitrile
CID 140658534
3,6-bis[4-(N-phenylanilino)phenyl]pyrazine-2,5-dicarbonitrile
CID 140915776
2,3,5-triphenyl-6-[4-(3,5,6-triphenylpyrazin-2-yl)phenyl]pyrazine
CID 139681938
3-amino-5-methyl-6-phenylpyrazine-2-carbonitrile
CID 20567061
5-(ethylamino)-6-phenylpyrazine-2,3-dicarbonitrile
CID 13336955
3-amino-6-(2-methylphenyl)-5-phenylpyrazine-2-carbonitrile
CID 164523722
4,7-diphenyl-2H-triazolo[4,5-c]pyridine-6-carbonitrile
CID 13077761
1,3,4,7-tetraphenylthieno[3,4-c]pyridine-6-carbonitrile
CID 13154154
2,4,7-triphenylpyrazolo[4,3-c]pyridine-6-carbonitrile
CID 13016006
5-bromo-8-phenylimidazo[1,2-a]pyrazine-6-carbonitrile
CID 176898342

Frequently Asked Questions

What is the IUPAC name of 3,5,6-triphenylpyrazine-2-carbonitrile?
The IUPAC name of 3,5,6-triphenylpyrazine-2-carbonitrile (CID 134914114) is 3,5,6-triphenylpyrazine-2-carbonitrile.
What is the SMILES notation for 3,5,6-triphenylpyrazine-2-carbonitrile?
The canonical SMILES for 3,5,6-triphenylpyrazine-2-carbonitrile is N#Cc1nc(-c2ccccc2)c(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of 3,5,6-triphenylpyrazine-2-carbonitrile?
The InChIKey is FFPVMUWCTOYKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15N3/c24-16-20-21(17-10-4-1-5-11-17)26-23(19-14-8-3-9-15-19)22(25-20)18-12-6-2-7-13-18/h1-15H.
What are the key properties of 3,5,6-triphenylpyrazine-2-carbonitrile?
3,5,6-triphenylpyrazine-2-carbonitrile has a molecular weight of 333.39 g/mol, XLogP of 5.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6-triphenylpyrazine-2-carbonitrile is sourced from PubChem (CID 134914114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).