5-isocyano-6-methoxypyrazin-2-amine

C6H6N4O — CID 123894653

IUPAC5-isocyano-6-methoxypyrazin-2-amine
SMILES[C-]#[N+]c1ncc(N)nc1OC
InChIInChI=1S/C6H6N4O/c1-8-5-6(11-2)10-4(7)3-9-5/h3H,2H3,(H2,7,10)
InChIKeyYJOWYTDOFXOPNA-UHFFFAOYSA-N
MW150.14 g/mol
LogP0.62
Rot. Bonds1

About 5-isocyano-6-methoxypyrazin-2-amine

5-isocyano-6-methoxypyrazin-2-amine (PubChem CID 123894653) has the molecular formula C6H6N4O and a molecular weight of 150.14 g/mol. Its IUPAC name is 5-isocyano-6-methoxypyrazin-2-amine.

Molecular Properties

Compound Name5-isocyano-6-methoxypyrazin-2-amine
PubChem CID123894653
Molecular FormulaC6H6N4O
Molecular Weight150.14 g/mol
Exact Mass150.05
IUPAC Name5-isocyano-6-methoxypyrazin-2-amine
SMILES[C-]#[N+]c1ncc(N)nc1OC
InChIInChI=1S/C6H6N4O/c1-8-5-6(11-2)10-4(7)3-9-5/h3H,2H3,(H2,7,10)
InChIKeyYJOWYTDOFXOPNA-UHFFFAOYSA-N
XLogP0.62
TPSA65.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.14
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-isocyano-6-methoxypyrazin-2-amine?
The IUPAC name of 5-isocyano-6-methoxypyrazin-2-amine (CID 123894653) is 5-isocyano-6-methoxypyrazin-2-amine.
What is the SMILES notation for 5-isocyano-6-methoxypyrazin-2-amine?
The canonical SMILES for 5-isocyano-6-methoxypyrazin-2-amine is [C-]#[N+]c1ncc(N)nc1OC.
What is the InChIKey of 5-isocyano-6-methoxypyrazin-2-amine?
The InChIKey is YJOWYTDOFXOPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4O/c1-8-5-6(11-2)10-4(7)3-9-5/h3H,2H3,(H2,7,10).
What are the key properties of 5-isocyano-6-methoxypyrazin-2-amine?
5-isocyano-6-methoxypyrazin-2-amine has a molecular weight of 150.14 g/mol, XLogP of 0.62, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-isocyano-6-methoxypyrazin-2-amine is sourced from PubChem (CID 123894653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).