3-amino-6-(dimethoxymethyl)pyrazine-2-carbonitrile

C8H10N4O2 — CID 12625132

IUPAC3-amino-6-(dimethoxymethyl)pyrazine-2-carbonitrile
SMILESCOC(OC)c1cnc(N)c(C#N)n1
InChIInChI=1S/C8H10N4O2/c1-13-8(14-2)6-4-11-7(10)5(3-9)12-6/h4,8H,1-2H3,(H2,10,11)
InChIKeyGRYDTRRYQOSEDF-UHFFFAOYSA-N
MW194.19 g/mol
LogP0.22
Rot. Bonds3

About 3-amino-6-(dimethoxymethyl)pyrazine-2-carbonitrile

3-amino-6-(dimethoxymethyl)pyrazine-2-carbonitrile (PubChem CID 12625132) has the molecular formula C8H10N4O2 and a molecular weight of 194.19 g/mol. Its IUPAC name is 3-amino-6-(dimethoxymethyl)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-amino-6-(dimethoxymethyl)pyrazine-2-carbonitrile
PubChem CID12625132
Molecular FormulaC8H10N4O2
Molecular Weight194.19 g/mol
Exact Mass194.08
IUPAC Name3-amino-6-(dimethoxymethyl)pyrazine-2-carbonitrile
SMILESCOC(OC)c1cnc(N)c(C#N)n1
InChIInChI=1S/C8H10N4O2/c1-13-8(14-2)6-4-11-7(10)5(3-9)12-6/h4,8H,1-2H3,(H2,10,11)
InChIKeyGRYDTRRYQOSEDF-UHFFFAOYSA-N
XLogP0.22
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(dimethoxymethyl)pyrazine-2-carbonitrile?
The IUPAC name of 3-amino-6-(dimethoxymethyl)pyrazine-2-carbonitrile (CID 12625132) is 3-amino-6-(dimethoxymethyl)pyrazine-2-carbonitrile.
What is the SMILES notation for 3-amino-6-(dimethoxymethyl)pyrazine-2-carbonitrile?
The canonical SMILES for 3-amino-6-(dimethoxymethyl)pyrazine-2-carbonitrile is COC(OC)c1cnc(N)c(C#N)n1.
What is the InChIKey of 3-amino-6-(dimethoxymethyl)pyrazine-2-carbonitrile?
The InChIKey is GRYDTRRYQOSEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O2/c1-13-8(14-2)6-4-11-7(10)5(3-9)12-6/h4,8H,1-2H3,(H2,10,11).
What are the key properties of 3-amino-6-(dimethoxymethyl)pyrazine-2-carbonitrile?
3-amino-6-(dimethoxymethyl)pyrazine-2-carbonitrile has a molecular weight of 194.19 g/mol, XLogP of 0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(dimethoxymethyl)pyrazine-2-carbonitrile is sourced from PubChem (CID 12625132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).