5-amino-3-propan-2-ylpyrazine-2-carbonitrile

C8H10N4 — CID 123481149

IUPAC5-amino-3-propan-2-ylpyrazine-2-carbonitrile
SMILESCC(C)c1nc(N)cnc1C#N
InChIInChI=1S/C8H10N4/c1-5(2)8-6(3-9)11-4-7(10)12-8/h4-5H,1-2H3,(H2,10,12)
InChIKeyNCEBWPXKTCBLEO-UHFFFAOYSA-N
MW162.20 g/mol
LogP1.05
Rot. Bonds1

About 5-amino-3-propan-2-ylpyrazine-2-carbonitrile

5-amino-3-propan-2-ylpyrazine-2-carbonitrile (PubChem CID 123481149) has the molecular formula C8H10N4 and a molecular weight of 162.20 g/mol. Its IUPAC name is 5-amino-3-propan-2-ylpyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-amino-3-propan-2-ylpyrazine-2-carbonitrile
PubChem CID123481149
Molecular FormulaC8H10N4
Molecular Weight162.20 g/mol
Exact Mass162.09
IUPAC Name5-amino-3-propan-2-ylpyrazine-2-carbonitrile
SMILESCC(C)c1nc(N)cnc1C#N
InChIInChI=1S/C8H10N4/c1-5(2)8-6(3-9)11-4-7(10)12-8/h4-5H,1-2H3,(H2,10,12)
InChIKeyNCEBWPXKTCBLEO-UHFFFAOYSA-N
XLogP1.05
TPSA75.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.20
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-propan-2-ylpyrazine-2-carbonitrile?
The IUPAC name of 5-amino-3-propan-2-ylpyrazine-2-carbonitrile (CID 123481149) is 5-amino-3-propan-2-ylpyrazine-2-carbonitrile.
What is the SMILES notation for 5-amino-3-propan-2-ylpyrazine-2-carbonitrile?
The canonical SMILES for 5-amino-3-propan-2-ylpyrazine-2-carbonitrile is CC(C)c1nc(N)cnc1C#N.
What is the InChIKey of 5-amino-3-propan-2-ylpyrazine-2-carbonitrile?
The InChIKey is NCEBWPXKTCBLEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4/c1-5(2)8-6(3-9)11-4-7(10)12-8/h4-5H,1-2H3,(H2,10,12).
What are the key properties of 5-amino-3-propan-2-ylpyrazine-2-carbonitrile?
5-amino-3-propan-2-ylpyrazine-2-carbonitrile has a molecular weight of 162.20 g/mol, XLogP of 1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-propan-2-ylpyrazine-2-carbonitrile is sourced from PubChem (CID 123481149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).