5-amino-6-propan-2-ylpyrazine-2,3-dicarbonitrile

C9H9N5 — CID 53406964

IUPAC5-amino-6-propan-2-ylpyrazine-2,3-dicarbonitrile
SMILESCC(C)c1nc(C#N)c(C#N)nc1N
InChIInChI=1S/C9H9N5/c1-5(2)8-9(12)14-7(4-11)6(3-10)13-8/h5H,1-2H3,(H2,12,14)
InChIKeyXFMZVWPAGQRQMZ-UHFFFAOYSA-N
MW187.21 g/mol
LogP0.93
Rot. Bonds1

About 5-amino-6-propan-2-ylpyrazine-2,3-dicarbonitrile

5-amino-6-propan-2-ylpyrazine-2,3-dicarbonitrile (PubChem CID 53406964) has the molecular formula C9H9N5 and a molecular weight of 187.21 g/mol. Its IUPAC name is 5-amino-6-propan-2-ylpyrazine-2,3-dicarbonitrile.

Molecular Properties

Compound Name5-amino-6-propan-2-ylpyrazine-2,3-dicarbonitrile
PubChem CID53406964
Molecular FormulaC9H9N5
Molecular Weight187.21 g/mol
Exact Mass187.09
IUPAC Name5-amino-6-propan-2-ylpyrazine-2,3-dicarbonitrile
SMILESCC(C)c1nc(C#N)c(C#N)nc1N
InChIInChI=1S/C9H9N5/c1-5(2)8-9(12)14-7(4-11)6(3-10)13-8/h5H,1-2H3,(H2,12,14)
InChIKeyXFMZVWPAGQRQMZ-UHFFFAOYSA-N
XLogP0.93
TPSA99.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.21
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-propan-2-ylpyrazine-2,3-dicarbonitrile?
The IUPAC name of 5-amino-6-propan-2-ylpyrazine-2,3-dicarbonitrile (CID 53406964) is 5-amino-6-propan-2-ylpyrazine-2,3-dicarbonitrile.
What is the SMILES notation for 5-amino-6-propan-2-ylpyrazine-2,3-dicarbonitrile?
The canonical SMILES for 5-amino-6-propan-2-ylpyrazine-2,3-dicarbonitrile is CC(C)c1nc(C#N)c(C#N)nc1N.
What is the InChIKey of 5-amino-6-propan-2-ylpyrazine-2,3-dicarbonitrile?
The InChIKey is XFMZVWPAGQRQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5/c1-5(2)8-9(12)14-7(4-11)6(3-10)13-8/h5H,1-2H3,(H2,12,14).
What are the key properties of 5-amino-6-propan-2-ylpyrazine-2,3-dicarbonitrile?
5-amino-6-propan-2-ylpyrazine-2,3-dicarbonitrile has a molecular weight of 187.21 g/mol, XLogP of 0.93, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-propan-2-ylpyrazine-2,3-dicarbonitrile is sourced from PubChem (CID 53406964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).