3-(methylamino)pyrazine-2-carbonitrile

C6H6N4 — CID 821140

IUPAC3-(methylamino)pyrazine-2-carbonitrile
SMILESCNc1nccnc1C#N
InChIInChI=1S/C6H6N4/c1-8-6-5(4-7)9-2-3-10-6/h2-3H,1H3,(H,8,10)
InChIKeyUZALWJYZYLTEMI-UHFFFAOYSA-N
MW134.14 g/mol
LogP0.39
Rot. Bonds1

About 3-(methylamino)pyrazine-2-carbonitrile

3-(methylamino)pyrazine-2-carbonitrile (PubChem CID 821140) has the molecular formula C6H6N4 and a molecular weight of 134.14 g/mol. Its IUPAC name is 3-(methylamino)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-(methylamino)pyrazine-2-carbonitrile
PubChem CID821140
Molecular FormulaC6H6N4
Molecular Weight134.14 g/mol
Exact Mass134.06
IUPAC Name3-(methylamino)pyrazine-2-carbonitrile
SMILESCNc1nccnc1C#N
InChIInChI=1S/C6H6N4/c1-8-6-5(4-7)9-2-3-10-6/h2-3H,1H3,(H,8,10)
InChIKeyUZALWJYZYLTEMI-UHFFFAOYSA-N
XLogP0.39
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.14
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)pyrazine-2-carbonitrile?
The IUPAC name of 3-(methylamino)pyrazine-2-carbonitrile (CID 821140) is 3-(methylamino)pyrazine-2-carbonitrile.
What is the SMILES notation for 3-(methylamino)pyrazine-2-carbonitrile?
The canonical SMILES for 3-(methylamino)pyrazine-2-carbonitrile is CNc1nccnc1C#N.
What is the InChIKey of 3-(methylamino)pyrazine-2-carbonitrile?
The InChIKey is UZALWJYZYLTEMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4/c1-8-6-5(4-7)9-2-3-10-6/h2-3H,1H3,(H,8,10).
What are the key properties of 3-(methylamino)pyrazine-2-carbonitrile?
3-(methylamino)pyrazine-2-carbonitrile has a molecular weight of 134.14 g/mol, XLogP of 0.39, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)pyrazine-2-carbonitrile is sourced from PubChem (CID 821140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).