3-[1-(4-bromophenyl)ethylamino]pyrazine-2-carbonitrile

C13H11BrN4 — CID 62673239

IUPAC3-[1-(4-bromophenyl)ethylamino]pyrazine-2-carbonitrile
SMILESCC(Nc1nccnc1C#N)c1ccc(Br)cc1
InChIInChI=1S/C13H11BrN4/c1-9(10-2-4-11(14)5-3-10)18-13-12(8-15)16-6-7-17-13/h2-7,9H,1H3,(H,17,18)
InChIKeyZPBBJGKINXSZKI-UHFFFAOYSA-N
MW303.16 g/mol
LogP3.28
Rot. Bonds3

About 3-[1-(4-bromophenyl)ethylamino]pyrazine-2-carbonitrile

3-[1-(4-bromophenyl)ethylamino]pyrazine-2-carbonitrile (PubChem CID 62673239) has the molecular formula C13H11BrN4 and a molecular weight of 303.16 g/mol. Its IUPAC name is 3-[1-(4-bromophenyl)ethylamino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[1-(4-bromophenyl)ethylamino]pyrazine-2-carbonitrile
PubChem CID62673239
Molecular FormulaC13H11BrN4
Molecular Weight303.16 g/mol
Exact Mass302.02
IUPAC Name3-[1-(4-bromophenyl)ethylamino]pyrazine-2-carbonitrile
SMILESCC(Nc1nccnc1C#N)c1ccc(Br)cc1
InChIInChI=1S/C13H11BrN4/c1-9(10-2-4-11(14)5-3-10)18-13-12(8-15)16-6-7-17-13/h2-7,9H,1H3,(H,17,18)
InChIKeyZPBBJGKINXSZKI-UHFFFAOYSA-N
XLogP3.28
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[1-(4-bromophenyl)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

Related Compounds

3-[1-[4-(3-methylbutoxy)phenyl]ethylamino]pyrazine-2-carbonitrile
CID 133284861
3-N-[1-(4-bromophenyl)ethyl]pyrazine-2,3-diamine
CID 113228949
3-(3-methylbutan-2-ylamino)pyrazine-2-carbonitrile
CID 62672516
3-[1-(5-methylthiophen-2-yl)ethylamino]pyrazine-2-carbonitrile
CID 62673071
3-[2-(4-bromophenyl)sulfanylpropylamino]pyrazine-2-carbonitrile
CID 133296520
3-(3,3-dimethylbutan-2-ylamino)pyrazine-2-carbonitrile
CID 104828363
3-(2-methylpentan-3-ylamino)pyrazine-2-carbonitrile
CID 62673067
6-[1-(4-bromophenyl)ethylamino]-3-nitropyridine-2-carbonitrile
CID 103471465
N-[1-(4-bromophenyl)ethyl]-1-methylimidazol-2-amine
CID 62133310
4-bromo-2-[1-(4-bromophenyl)ethylamino]benzonitrile
CID 114901598
4-[1-[[(1S)-1-(4-bromophenyl)ethyl]amino]ethyl]benzonitrile
CID 81359050
methyl 2-[1-(4-bromophenyl)ethylamino]pyridine-3-carboxylate
CID 60722191

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-bromophenyl)ethylamino]pyrazine-2-carbonitrile?
The IUPAC name of 3-[1-(4-bromophenyl)ethylamino]pyrazine-2-carbonitrile (CID 62673239) is 3-[1-(4-bromophenyl)ethylamino]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[1-(4-bromophenyl)ethylamino]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[1-(4-bromophenyl)ethylamino]pyrazine-2-carbonitrile is CC(Nc1nccnc1C#N)c1ccc(Br)cc1.
What is the InChIKey of 3-[1-(4-bromophenyl)ethylamino]pyrazine-2-carbonitrile?
The InChIKey is ZPBBJGKINXSZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN4/c1-9(10-2-4-11(14)5-3-10)18-13-12(8-15)16-6-7-17-13/h2-7,9H,1H3,(H,17,18).
What are the key properties of 3-[1-(4-bromophenyl)ethylamino]pyrazine-2-carbonitrile?
3-[1-(4-bromophenyl)ethylamino]pyrazine-2-carbonitrile has a molecular weight of 303.16 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-bromophenyl)ethylamino]pyrazine-2-carbonitrile is sourced from PubChem (CID 62673239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).