6-isocyanoimidazo[1,2-a]pyrazine

C7H4N4 — CID 88949385

IUPAC6-isocyanoimidazo[1,2-a]pyrazine
SMILES[C-]#[N+]c1cn2ccnc2cn1
InChIInChI=1S/C7H4N4/c1-8-6-5-11-3-2-9-7(11)4-10-6/h2-5H
InChIKeyIMMUMGSUTIUQKH-UHFFFAOYSA-N
MW144.14 g/mol
LogP1.28
Rot. Bonds

About 6-isocyanoimidazo[1,2-a]pyrazine

6-isocyanoimidazo[1,2-a]pyrazine (PubChem CID 88949385) has the molecular formula C7H4N4 and a molecular weight of 144.14 g/mol. Its IUPAC name is 6-isocyanoimidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name6-isocyanoimidazo[1,2-a]pyrazine
PubChem CID88949385
Molecular FormulaC7H4N4
Molecular Weight144.14 g/mol
Exact Mass144.04
IUPAC Name6-isocyanoimidazo[1,2-a]pyrazine
SMILES[C-]#[N+]c1cn2ccnc2cn1
InChIInChI=1S/C7H4N4/c1-8-6-5-11-3-2-9-7(11)4-10-6/h2-5H
InChIKeyIMMUMGSUTIUQKH-UHFFFAOYSA-N
XLogP1.28
TPSA34.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.14
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 6-isocyanoimidazo[1,2-a]pyrazine?
The IUPAC name of 6-isocyanoimidazo[1,2-a]pyrazine (CID 88949385) is 6-isocyanoimidazo[1,2-a]pyrazine.
What is the SMILES notation for 6-isocyanoimidazo[1,2-a]pyrazine?
The canonical SMILES for 6-isocyanoimidazo[1,2-a]pyrazine is [C-]#[N+]c1cn2ccnc2cn1.
What is the InChIKey of 6-isocyanoimidazo[1,2-a]pyrazine?
The InChIKey is IMMUMGSUTIUQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4N4/c1-8-6-5-11-3-2-9-7(11)4-10-6/h2-5H.
What are the key properties of 6-isocyanoimidazo[1,2-a]pyrazine?
6-isocyanoimidazo[1,2-a]pyrazine has a molecular weight of 144.14 g/mol, XLogP of 1.28, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-isocyanoimidazo[1,2-a]pyrazine is sourced from PubChem (CID 88949385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).