(E)-1-pyrazin-2-yl-N-[(E)-1-pyrazin-2-ylethylideneamino]ethanimine

C12H12N6 — CID 139059239

IUPAC(E)-1-pyrazin-2-yl-N-[(E)-1-pyrazin-2-ylethylideneamino]ethanimine
SMILESC/C(=N\N=C(/C)c1cnccn1)c1cnccn1
InChIInChI=1S/C12H12N6/c1-9(11-7-13-3-5-15-11)17-18-10(2)12-8-14-4-6-16-12/h3-8H,1-2H3/b17-9+,18-10+
InChIKeyWJHROMCMRRNRJD-BEQMOXJMSA-N
MW240.27 g/mol
LogP1.50
Rot. Bonds3

About (E)-1-pyrazin-2-yl-N-[(E)-1-pyrazin-2-ylethylideneamino]ethanimine

(E)-1-pyrazin-2-yl-N-[(E)-1-pyrazin-2-ylethylideneamino]ethanimine (PubChem CID 139059239) has the molecular formula C12H12N6 and a molecular weight of 240.27 g/mol. Its IUPAC name is (E)-1-pyrazin-2-yl-N-[(E)-1-pyrazin-2-ylethylideneamino]ethanimine.

Molecular Properties

Compound Name(E)-1-pyrazin-2-yl-N-[(E)-1-pyrazin-2-ylethylideneamino]ethanimine
PubChem CID139059239
Molecular FormulaC12H12N6
Molecular Weight240.27 g/mol
Exact Mass240.11
IUPAC Name(E)-1-pyrazin-2-yl-N-[(E)-1-pyrazin-2-ylethylideneamino]ethanimine
SMILESC/C(=N\N=C(/C)c1cnccn1)c1cnccn1
InChIInChI=1S/C12H12N6/c1-9(11-7-13-3-5-15-11)17-18-10(2)12-8-14-4-6-16-12/h3-8H,1-2H3/b17-9+,18-10+
InChIKeyWJHROMCMRRNRJD-BEQMOXJMSA-N
XLogP1.50
TPSA76.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-1-pyrazin-2-yl-N-[(E)-1-pyrazin-2-ylethylideneamino]ethanimine?
The IUPAC name of (E)-1-pyrazin-2-yl-N-[(E)-1-pyrazin-2-ylethylideneamino]ethanimine (CID 139059239) is (E)-1-pyrazin-2-yl-N-[(E)-1-pyrazin-2-ylethylideneamino]ethanimine.
What is the SMILES notation for (E)-1-pyrazin-2-yl-N-[(E)-1-pyrazin-2-ylethylideneamino]ethanimine?
The canonical SMILES for (E)-1-pyrazin-2-yl-N-[(E)-1-pyrazin-2-ylethylideneamino]ethanimine is C/C(=N\N=C(/C)c1cnccn1)c1cnccn1.
What is the InChIKey of (E)-1-pyrazin-2-yl-N-[(E)-1-pyrazin-2-ylethylideneamino]ethanimine?
The InChIKey is WJHROMCMRRNRJD-BEQMOXJMSA-N. The full InChI is InChI=1S/C12H12N6/c1-9(11-7-13-3-5-15-11)17-18-10(2)12-8-14-4-6-16-12/h3-8H,1-2H3/b17-9+,18-10+.
What are the key properties of (E)-1-pyrazin-2-yl-N-[(E)-1-pyrazin-2-ylethylideneamino]ethanimine?
(E)-1-pyrazin-2-yl-N-[(E)-1-pyrazin-2-ylethylideneamino]ethanimine has a molecular weight of 240.27 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-pyrazin-2-yl-N-[(E)-1-pyrazin-2-ylethylideneamino]ethanimine is sourced from PubChem (CID 139059239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).