6-(benzylamino)pyrazine-2,3,5-tricarbonitrile

C14H8N6 — CID 154109669

IUPAC6-(benzylamino)pyrazine-2,3,5-tricarbonitrile
SMILESN#Cc1nc(C#N)c(NCc2ccccc2)nc1C#N
InChIInChI=1S/C14H8N6/c15-6-11-12(7-16)20-14(13(8-17)19-11)18-9-10-4-2-1-3-5-10/h1-5H,9H2,(H,18,20)
InChIKeyVHHIHURVUUGJRH-UHFFFAOYSA-N
MW260.26 g/mol
LogP1.70
Rot. Bonds3

About 6-(benzylamino)pyrazine-2,3,5-tricarbonitrile

6-(benzylamino)pyrazine-2,3,5-tricarbonitrile (PubChem CID 154109669) has the molecular formula C14H8N6 and a molecular weight of 260.26 g/mol. Its IUPAC name is 6-(benzylamino)pyrazine-2,3,5-tricarbonitrile.

Molecular Properties

Compound Name6-(benzylamino)pyrazine-2,3,5-tricarbonitrile
PubChem CID154109669
Molecular FormulaC14H8N6
Molecular Weight260.26 g/mol
Exact Mass260.08
IUPAC Name6-(benzylamino)pyrazine-2,3,5-tricarbonitrile
SMILESN#Cc1nc(C#N)c(NCc2ccccc2)nc1C#N
InChIInChI=1S/C14H8N6/c15-6-11-12(7-16)20-14(13(8-17)19-11)18-9-10-4-2-1-3-5-10/h1-5H,9H2,(H,18,20)
InChIKeyVHHIHURVUUGJRH-UHFFFAOYSA-N
XLogP1.70
TPSA109.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(benzylamino)pyrazine-2,3,5-tricarbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-N,4-N,6-N-tribenzyl-1,3,5-triazine-2,4,6-triamine
CID 11372871
5-(ethylamino)-6-phenylpyrazine-2,3-dicarbonitrile
CID 13336955
5-benzyl-7-[(Z)-2-[3-(benzylamino)-5,6-dicyanopyrazin-2-yl]-1-hydroxyethenyl]-6-methylpyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile
CID 136815283
5-benzyl-7-[2-[3-(benzylamino)-5,6-dicyanopyrazin-2-yl]acetyl]-6-methylpyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile
CID 15476474
3-[(3-chlorophenyl)methylamino]pyrazine-2,5-dicarbonitrile
CID 71540606
2-(benzylamino)-4-chloro-1,3-thiazole-5-carbonitrile
CID 3813841
4-[[(3-aminoquinoxalin-2-yl)amino]methyl]benzonitrile
CID 102983794
N-benzyl-2-[(3-cyanopyrazin-2-yl)amino]acetamide
CID 62671468
2-N-benzyl-4,6-dimethylpyridine-2,3-diamine
CID 70993735
3-[(4-hydroxyphenyl)methylamino]pyrazine-2-carbonitrile
CID 115605243
5-benzyl-6-chloropyrazine-2,3-dicarbonitrile
CID 13336835
(benzylamino) thiocyanate
CID 11344191

Frequently Asked Questions

What is the IUPAC name of 6-(benzylamino)pyrazine-2,3,5-tricarbonitrile?
The IUPAC name of 6-(benzylamino)pyrazine-2,3,5-tricarbonitrile (CID 154109669) is 6-(benzylamino)pyrazine-2,3,5-tricarbonitrile.
What is the SMILES notation for 6-(benzylamino)pyrazine-2,3,5-tricarbonitrile?
The canonical SMILES for 6-(benzylamino)pyrazine-2,3,5-tricarbonitrile is N#Cc1nc(C#N)c(NCc2ccccc2)nc1C#N.
What is the InChIKey of 6-(benzylamino)pyrazine-2,3,5-tricarbonitrile?
The InChIKey is VHHIHURVUUGJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N6/c15-6-11-12(7-16)20-14(13(8-17)19-11)18-9-10-4-2-1-3-5-10/h1-5H,9H2,(H,18,20).
What are the key properties of 6-(benzylamino)pyrazine-2,3,5-tricarbonitrile?
6-(benzylamino)pyrazine-2,3,5-tricarbonitrile has a molecular weight of 260.26 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzylamino)pyrazine-2,3,5-tricarbonitrile is sourced from PubChem (CID 154109669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).