3-amino-6-(4-bromophenyl)-5-methylpyrazine-2-carbonitrile

C12H9BrN4 — CID 20567070

IUPAC3-amino-6-(4-bromophenyl)-5-methylpyrazine-2-carbonitrile
SMILESCc1nc(N)c(C#N)nc1-c1ccc(Br)cc1
InChIInChI=1S/C12H9BrN4/c1-7-11(8-2-4-9(13)5-3-8)17-10(6-14)12(15)16-7/h2-5H,1H3,(H2,15,16)
InChIKeyVAZQKPXJSWRFOJ-UHFFFAOYSA-N
MW289.14 g/mol
LogP2.67
Rot. Bonds1

About 3-amino-6-(4-bromophenyl)-5-methylpyrazine-2-carbonitrile

3-amino-6-(4-bromophenyl)-5-methylpyrazine-2-carbonitrile (PubChem CID 20567070) has the molecular formula C12H9BrN4 and a molecular weight of 289.14 g/mol. Its IUPAC name is 3-amino-6-(4-bromophenyl)-5-methylpyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-amino-6-(4-bromophenyl)-5-methylpyrazine-2-carbonitrile
PubChem CID20567070
Molecular FormulaC12H9BrN4
Molecular Weight289.14 g/mol
Exact Mass288.00
IUPAC Name3-amino-6-(4-bromophenyl)-5-methylpyrazine-2-carbonitrile
SMILESCc1nc(N)c(C#N)nc1-c1ccc(Br)cc1
InChIInChI=1S/C12H9BrN4/c1-7-11(8-2-4-9(13)5-3-8)17-10(6-14)12(15)16-7/h2-5H,1H3,(H2,15,16)
InChIKeyVAZQKPXJSWRFOJ-UHFFFAOYSA-N
XLogP2.67
TPSA75.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.14
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-5-methyl-6-phenylpyrazine-2-carbonitrile
CID 20567061
2-amino-4-(4-bromophenyl)-5-methyl-6-(4-methylphenyl)pyridine-3-carbonitrile
CID 5172784
3-amino-6-(2-methylphenyl)-5-phenylpyrazine-2-carbonitrile
CID 164523722
3-amino-5-(4-bromophenyl)pyridazine-4-carbonitrile
CID 6404650
2-amino-6-(4-bromophenyl)-4-(4-ethylphenyl)-5-methylpyridine-3-carbonitrile
CID 3341400
methyl 4-[2-amino-6-(4-bromophenyl)-3-cyano-5-methyl-4-pyridinyl]benzoate
CID 3345016
2-amino-6-(4-bromophenyl)-4-(4-chloro-3-fluorophenyl)-5-methylpyridine-3-carbonitrile
CID 3346636
3,5-diaminopyrazine-2,6-dicarbonitrile
CID 19022925
2-amino-6-(4-bromophenyl)-4-(3-methylphenyl)pyridine-3-carbonitrile
CID 3395709
5-amino-11,16-dimethyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene-4,10,17-tricarbonitrile
CID 70856637
2-amino-6-(4-bromophenyl)-4-(4-ethoxyphenyl)-5-methylpyridine-3-carbonitrile
CID 3341395
6-(4-bromophenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80977211

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(4-bromophenyl)-5-methylpyrazine-2-carbonitrile?
The IUPAC name of 3-amino-6-(4-bromophenyl)-5-methylpyrazine-2-carbonitrile (CID 20567070) is 3-amino-6-(4-bromophenyl)-5-methylpyrazine-2-carbonitrile.
What is the SMILES notation for 3-amino-6-(4-bromophenyl)-5-methylpyrazine-2-carbonitrile?
The canonical SMILES for 3-amino-6-(4-bromophenyl)-5-methylpyrazine-2-carbonitrile is Cc1nc(N)c(C#N)nc1-c1ccc(Br)cc1.
What is the InChIKey of 3-amino-6-(4-bromophenyl)-5-methylpyrazine-2-carbonitrile?
The InChIKey is VAZQKPXJSWRFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN4/c1-7-11(8-2-4-9(13)5-3-8)17-10(6-14)12(15)16-7/h2-5H,1H3,(H2,15,16).
What are the key properties of 3-amino-6-(4-bromophenyl)-5-methylpyrazine-2-carbonitrile?
3-amino-6-(4-bromophenyl)-5-methylpyrazine-2-carbonitrile has a molecular weight of 289.14 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(4-bromophenyl)-5-methylpyrazine-2-carbonitrile is sourced from PubChem (CID 20567070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).