(3E)-3-ethylidenepyrazin-2-imine

C6H7N3 — CID 126518672

IUPAC(3E)-3-ethylidenepyrazin-2-imine
SMILES[H]/N=C1\N=CC=N\C1=C\C
InChIInChI=1S/C6H7N3/c1-2-5-6(7)9-4-3-8-5/h2-4,7H,1H3/b5-2+,7-6-
InChIKeyBLNZALZTYSOLDI-UKZUVLBDSA-N
MW121.14 g/mol
LogP1.02
Rot. Bonds

About (3E)-3-ethylidenepyrazin-2-imine

(3E)-3-ethylidenepyrazin-2-imine (PubChem CID 126518672) has the molecular formula C6H7N3 and a molecular weight of 121.14 g/mol. Its IUPAC name is (3E)-3-ethylidenepyrazin-2-imine.

Molecular Properties

Compound Name(3E)-3-ethylidenepyrazin-2-imine
PubChem CID126518672
Molecular FormulaC6H7N3
Molecular Weight121.14 g/mol
Exact Mass121.06
IUPAC Name(3E)-3-ethylidenepyrazin-2-imine
SMILES[H]/N=C1\N=CC=N\C1=C\C
InChIInChI=1S/C6H7N3/c1-2-5-6(7)9-4-3-8-5/h2-4,7H,1H3/b5-2+,7-6-
InChIKeyBLNZALZTYSOLDI-UKZUVLBDSA-N
XLogP1.02
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.14
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (3E)-3-ethylidenepyrazin-2-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3E)-3-ethylidenepyrazin-2-imine?
The IUPAC name of (3E)-3-ethylidenepyrazin-2-imine (CID 126518672) is (3E)-3-ethylidenepyrazin-2-imine.
What is the SMILES notation for (3E)-3-ethylidenepyrazin-2-imine?
The canonical SMILES for (3E)-3-ethylidenepyrazin-2-imine is [H]/N=C1\N=CC=N\C1=C\C.
What is the InChIKey of (3E)-3-ethylidenepyrazin-2-imine?
The InChIKey is BLNZALZTYSOLDI-UKZUVLBDSA-N. The full InChI is InChI=1S/C6H7N3/c1-2-5-6(7)9-4-3-8-5/h2-4,7H,1H3/b5-2+,7-6-.
What are the key properties of (3E)-3-ethylidenepyrazin-2-imine?
(3E)-3-ethylidenepyrazin-2-imine has a molecular weight of 121.14 g/mol, XLogP of 1.02, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-ethylidenepyrazin-2-imine is sourced from PubChem (CID 126518672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).