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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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).