3-[2-(2,4,6-trimethylphenyl)ethylamino]pyrazine-2-carbonitrile

C16H18N4 — CID 133283692

IUPAC3-[2-(2,4,6-trimethylphenyl)ethylamino]pyrazine-2-carbonitrile
SMILESCc1cc(C)c(CCNc2nccnc2C#N)c(C)c1
InChIInChI=1S/C16H18N4/c1-11-8-12(2)14(13(3)9-11)4-5-19-16-15(10-17)18-6-7-20-16/h6-9H,4-5H2,1-3H3,(H,19,20)
InChIKeyFWBMRKPYUSGQKJ-UHFFFAOYSA-N
MW266.35 g/mol
LogP2.93
Rot. Bonds4

About 3-[2-(2,4,6-trimethylphenyl)ethylamino]pyrazine-2-carbonitrile

3-[2-(2,4,6-trimethylphenyl)ethylamino]pyrazine-2-carbonitrile (PubChem CID 133283692) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is 3-[2-(2,4,6-trimethylphenyl)ethylamino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[2-(2,4,6-trimethylphenyl)ethylamino]pyrazine-2-carbonitrile
PubChem CID133283692
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name3-[2-(2,4,6-trimethylphenyl)ethylamino]pyrazine-2-carbonitrile
SMILESCc1cc(C)c(CCNc2nccnc2C#N)c(C)c1
InChIInChI=1S/C16H18N4/c1-11-8-12(2)14(13(3)9-11)4-5-19-16-15(10-17)18-6-7-20-16/h6-9H,4-5H2,1-3H3,(H,19,20)
InChIKeyFWBMRKPYUSGQKJ-UHFFFAOYSA-N
XLogP2.93
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[2-(2,4,6-trimethylphenyl)ethylamino]pyrazine-2-carbonitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,4,6-trimethylphenyl)ethylamino]pyrazine-2-carbonitrile?
The IUPAC name of 3-[2-(2,4,6-trimethylphenyl)ethylamino]pyrazine-2-carbonitrile (CID 133283692) is 3-[2-(2,4,6-trimethylphenyl)ethylamino]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[2-(2,4,6-trimethylphenyl)ethylamino]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[2-(2,4,6-trimethylphenyl)ethylamino]pyrazine-2-carbonitrile is Cc1cc(C)c(CCNc2nccnc2C#N)c(C)c1.
What is the InChIKey of 3-[2-(2,4,6-trimethylphenyl)ethylamino]pyrazine-2-carbonitrile?
The InChIKey is FWBMRKPYUSGQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-11-8-12(2)14(13(3)9-11)4-5-19-16-15(10-17)18-6-7-20-16/h6-9H,4-5H2,1-3H3,(H,19,20).
What are the key properties of 3-[2-(2,4,6-trimethylphenyl)ethylamino]pyrazine-2-carbonitrile?
3-[2-(2,4,6-trimethylphenyl)ethylamino]pyrazine-2-carbonitrile has a molecular weight of 266.35 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,4,6-trimethylphenyl)ethylamino]pyrazine-2-carbonitrile is sourced from PubChem (CID 133283692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).