3-amino-6-(2-methylphenyl)-5-phenylpyrazine-2-carbonitrile

C18H14N4 — CID 164523722

IUPAC3-amino-6-(2-methylphenyl)-5-phenylpyrazine-2-carbonitrile
SMILESCc1ccccc1-c1nc(C#N)c(N)nc1-c1ccccc1
InChIInChI=1S/C18H14N4/c1-12-7-5-6-10-14(12)17-16(13-8-3-2-4-9-13)22-18(20)15(11-19)21-17/h2-10H,1H3,(H2,20,22)
InChIKeyMJZQEQVJDXITKQ-UHFFFAOYSA-N
MW286.34 g/mol
LogP3.57
Rot. Bonds2

About 3-amino-6-(2-methylphenyl)-5-phenylpyrazine-2-carbonitrile

3-amino-6-(2-methylphenyl)-5-phenylpyrazine-2-carbonitrile (PubChem CID 164523722) has the molecular formula C18H14N4 and a molecular weight of 286.34 g/mol. Its IUPAC name is 3-amino-6-(2-methylphenyl)-5-phenylpyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-amino-6-(2-methylphenyl)-5-phenylpyrazine-2-carbonitrile
PubChem CID164523722
Molecular FormulaC18H14N4
Molecular Weight286.34 g/mol
Exact Mass286.12
IUPAC Name3-amino-6-(2-methylphenyl)-5-phenylpyrazine-2-carbonitrile
SMILESCc1ccccc1-c1nc(C#N)c(N)nc1-c1ccccc1
InChIInChI=1S/C18H14N4/c1-12-7-5-6-10-14(12)17-16(13-8-3-2-4-9-13)22-18(20)15(11-19)21-17/h2-10H,1H3,(H2,20,22)
InChIKeyMJZQEQVJDXITKQ-UHFFFAOYSA-N
XLogP3.57
TPSA75.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-5-methyl-6-phenylpyrazine-2-carbonitrile
CID 20567061
3-amino-6-(8-chloro-2,4-dimethylquinolin-6-yl)-5-phenylpyrazine-2-carbonitrile
CID 137431513
3,5,6-triphenylpyrazine-2-carbonitrile
CID 134914114
3-amino-5-(6-oxo-1-propan-2-ylpyridazin-3-yl)-6-phenylpyrazine-2-carbonitrile
CID 69331459
acetonitrile;bis(5-methyl-4-(2-methylphenyl)-6-phenylpyrimidine);ruthenium(3+)
CID 160957643
2-amino-6-(4-chlorophenyl)-5-methyl-4-(2-methylphenyl)pyridine-3-carbonitrile
CID 3313312
5-methyl-2-(2-methylphenyl)-6-phenylpyrimidin-4-amine
CID 104846734
3-amino-6-(4-bromophenyl)-5-methylpyrazine-2-carbonitrile
CID 20567070
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-amino-5-(3-methylphenyl)-6-quinolin-6-ylpyrazine-2-carbonitrile
CID 137430158
iridium;bis(5-methyl-4-(2-methylphenyl)-6-phenylpyrimidine)
CID 159158115
3-amino-6-(8-chloro-1,2-dihydroisoquinolin-6-yl)-5-phenylpyrazine-2-carbonitrile
CID 166755664

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(2-methylphenyl)-5-phenylpyrazine-2-carbonitrile?
The IUPAC name of 3-amino-6-(2-methylphenyl)-5-phenylpyrazine-2-carbonitrile (CID 164523722) is 3-amino-6-(2-methylphenyl)-5-phenylpyrazine-2-carbonitrile.
What is the SMILES notation for 3-amino-6-(2-methylphenyl)-5-phenylpyrazine-2-carbonitrile?
The canonical SMILES for 3-amino-6-(2-methylphenyl)-5-phenylpyrazine-2-carbonitrile is Cc1ccccc1-c1nc(C#N)c(N)nc1-c1ccccc1.
What is the InChIKey of 3-amino-6-(2-methylphenyl)-5-phenylpyrazine-2-carbonitrile?
The InChIKey is MJZQEQVJDXITKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4/c1-12-7-5-6-10-14(12)17-16(13-8-3-2-4-9-13)22-18(20)15(11-19)21-17/h2-10H,1H3,(H2,20,22).
What are the key properties of 3-amino-6-(2-methylphenyl)-5-phenylpyrazine-2-carbonitrile?
3-amino-6-(2-methylphenyl)-5-phenylpyrazine-2-carbonitrile has a molecular weight of 286.34 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(2-methylphenyl)-5-phenylpyrazine-2-carbonitrile is sourced from PubChem (CID 164523722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).