2-isocyano-6-methylpyrazine

C6H5N3 — CID 59273467

IUPAC2-isocyano-6-methylpyrazine
SMILES[C-]#[N+]c1cncc(C)n1
InChIInChI=1S/C6H5N3/c1-5-3-8-4-6(7-2)9-5/h3-4H,1H3
InChIKeyHDSSLCFMQRGMNL-UHFFFAOYSA-N
MW119.13 g/mol
LogP1.34
Rot. Bonds

About 2-isocyano-6-methylpyrazine

2-isocyano-6-methylpyrazine (PubChem CID 59273467) has the molecular formula C6H5N3 and a molecular weight of 119.13 g/mol. Its IUPAC name is 2-isocyano-6-methylpyrazine.

Molecular Properties

Compound Name2-isocyano-6-methylpyrazine
PubChem CID59273467
Molecular FormulaC6H5N3
Molecular Weight119.13 g/mol
Exact Mass119.05
IUPAC Name2-isocyano-6-methylpyrazine
SMILES[C-]#[N+]c1cncc(C)n1
InChIInChI=1S/C6H5N3/c1-5-3-8-4-6(7-2)9-5/h3-4H,1H3
InChIKeyHDSSLCFMQRGMNL-UHFFFAOYSA-N
XLogP1.34
TPSA30.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.13
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-isocyano-6-methylpyrazine?
The IUPAC name of 2-isocyano-6-methylpyrazine (CID 59273467) is 2-isocyano-6-methylpyrazine.
What is the SMILES notation for 2-isocyano-6-methylpyrazine?
The canonical SMILES for 2-isocyano-6-methylpyrazine is [C-]#[N+]c1cncc(C)n1.
What is the InChIKey of 2-isocyano-6-methylpyrazine?
The InChIKey is HDSSLCFMQRGMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3/c1-5-3-8-4-6(7-2)9-5/h3-4H,1H3.
What are the key properties of 2-isocyano-6-methylpyrazine?
2-isocyano-6-methylpyrazine has a molecular weight of 119.13 g/mol, XLogP of 1.34, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-isocyano-6-methylpyrazine is sourced from PubChem (CID 59273467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).