3-amino-5-methyl-6-phenylpyrazine-2-carbonitrile

C12H10N4 — CID 20567061

IUPAC3-amino-5-methyl-6-phenylpyrazine-2-carbonitrile
SMILESCc1nc(N)c(C#N)nc1-c1ccccc1
InChIInChI=1S/C12H10N4/c1-8-11(9-5-3-2-4-6-9)16-10(7-13)12(14)15-8/h2-6H,1H3,(H2,14,15)
InChIKeySYBONJMRAXJCBP-UHFFFAOYSA-N
MW210.24 g/mol
LogP1.91
Rot. Bonds1

About 3-amino-5-methyl-6-phenylpyrazine-2-carbonitrile

3-amino-5-methyl-6-phenylpyrazine-2-carbonitrile (PubChem CID 20567061) has the molecular formula C12H10N4 and a molecular weight of 210.24 g/mol. Its IUPAC name is 3-amino-5-methyl-6-phenylpyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-amino-5-methyl-6-phenylpyrazine-2-carbonitrile
PubChem CID20567061
Molecular FormulaC12H10N4
Molecular Weight210.24 g/mol
Exact Mass210.09
IUPAC Name3-amino-5-methyl-6-phenylpyrazine-2-carbonitrile
SMILESCc1nc(N)c(C#N)nc1-c1ccccc1
InChIInChI=1S/C12H10N4/c1-8-11(9-5-3-2-4-6-9)16-10(7-13)12(14)15-8/h2-6H,1H3,(H2,14,15)
InChIKeySYBONJMRAXJCBP-UHFFFAOYSA-N
XLogP1.91
TPSA75.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-methyl-6-phenylpyrazine-2-carbonitrile?
The IUPAC name of 3-amino-5-methyl-6-phenylpyrazine-2-carbonitrile (CID 20567061) is 3-amino-5-methyl-6-phenylpyrazine-2-carbonitrile.
What is the SMILES notation for 3-amino-5-methyl-6-phenylpyrazine-2-carbonitrile?
The canonical SMILES for 3-amino-5-methyl-6-phenylpyrazine-2-carbonitrile is Cc1nc(N)c(C#N)nc1-c1ccccc1.
What is the InChIKey of 3-amino-5-methyl-6-phenylpyrazine-2-carbonitrile?
The InChIKey is SYBONJMRAXJCBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4/c1-8-11(9-5-3-2-4-6-9)16-10(7-13)12(14)15-8/h2-6H,1H3,(H2,14,15).
What are the key properties of 3-amino-5-methyl-6-phenylpyrazine-2-carbonitrile?
3-amino-5-methyl-6-phenylpyrazine-2-carbonitrile has a molecular weight of 210.24 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-methyl-6-phenylpyrazine-2-carbonitrile is sourced from PubChem (CID 20567061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).