5-amino-6-methoxypyrazine-2,3-dicarbonitrile

C7H5N5O — CID 82254069

IUPAC5-amino-6-methoxypyrazine-2,3-dicarbonitrile
SMILESCOc1nc(C#N)c(C#N)nc1N
InChIInChI=1S/C7H5N5O/c1-13-7-6(10)11-4(2-8)5(3-9)12-7/h1H3,(H2,10,11)
InChIKeyHZVXDFFADMZNEL-UHFFFAOYSA-N
MW175.15 g/mol
LogP-0.19
Rot. Bonds1

About 5-amino-6-methoxypyrazine-2,3-dicarbonitrile

5-amino-6-methoxypyrazine-2,3-dicarbonitrile (PubChem CID 82254069) has the molecular formula C7H5N5O and a molecular weight of 175.15 g/mol. Its IUPAC name is 5-amino-6-methoxypyrazine-2,3-dicarbonitrile.

Molecular Properties

Compound Name5-amino-6-methoxypyrazine-2,3-dicarbonitrile
PubChem CID82254069
Molecular FormulaC7H5N5O
Molecular Weight175.15 g/mol
Exact Mass175.05
IUPAC Name5-amino-6-methoxypyrazine-2,3-dicarbonitrile
SMILESCOc1nc(C#N)c(C#N)nc1N
InChIInChI=1S/C7H5N5O/c1-13-7-6(10)11-4(2-8)5(3-9)12-7/h1H3,(H2,10,11)
InChIKeyHZVXDFFADMZNEL-UHFFFAOYSA-N
XLogP-0.19
TPSA108.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.15
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-methoxypyrazine-2,3-dicarbonitrile?
The IUPAC name of 5-amino-6-methoxypyrazine-2,3-dicarbonitrile (CID 82254069) is 5-amino-6-methoxypyrazine-2,3-dicarbonitrile.
What is the SMILES notation for 5-amino-6-methoxypyrazine-2,3-dicarbonitrile?
The canonical SMILES for 5-amino-6-methoxypyrazine-2,3-dicarbonitrile is COc1nc(C#N)c(C#N)nc1N.
What is the InChIKey of 5-amino-6-methoxypyrazine-2,3-dicarbonitrile?
The InChIKey is HZVXDFFADMZNEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N5O/c1-13-7-6(10)11-4(2-8)5(3-9)12-7/h1H3,(H2,10,11).
What are the key properties of 5-amino-6-methoxypyrazine-2,3-dicarbonitrile?
5-amino-6-methoxypyrazine-2,3-dicarbonitrile has a molecular weight of 175.15 g/mol, XLogP of -0.19, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-methoxypyrazine-2,3-dicarbonitrile is sourced from PubChem (CID 82254069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).