2-N,2-N-bis(2-ethoxyethyl)pyrazine-2,6-diamine

C12H22N4O2 — CID 82952490

IUPAC2-N,2-N-bis(2-ethoxyethyl)pyrazine-2,6-diamine
SMILESCCOCCN(CCOCC)c1cncc(N)n1
InChIInChI=1S/C12H22N4O2/c1-3-17-7-5-16(6-8-18-4-2)12-10-14-9-11(13)15-12/h9-10H,3-8H2,1-2H3,(H2,13,15)
InChIKeyZBAOVOGNPRPWHM-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.94
Rot. Bonds9

About 2-N,2-N-bis(2-ethoxyethyl)pyrazine-2,6-diamine

2-N,2-N-bis(2-ethoxyethyl)pyrazine-2,6-diamine (PubChem CID 82952490) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-N,2-N-bis(2-ethoxyethyl)pyrazine-2,6-diamine.

Molecular Properties

Compound Name2-N,2-N-bis(2-ethoxyethyl)pyrazine-2,6-diamine
PubChem CID82952490
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name2-N,2-N-bis(2-ethoxyethyl)pyrazine-2,6-diamine
SMILESCCOCCN(CCOCC)c1cncc(N)n1
InChIInChI=1S/C12H22N4O2/c1-3-17-7-5-16(6-8-18-4-2)12-10-14-9-11(13)15-12/h9-10H,3-8H2,1-2H3,(H2,13,15)
InChIKeyZBAOVOGNPRPWHM-UHFFFAOYSA-N
XLogP0.94
TPSA73.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-bis(2-ethoxyethyl)pyrazine-2,6-diamine?
The IUPAC name of 2-N,2-N-bis(2-ethoxyethyl)pyrazine-2,6-diamine (CID 82952490) is 2-N,2-N-bis(2-ethoxyethyl)pyrazine-2,6-diamine.
What is the SMILES notation for 2-N,2-N-bis(2-ethoxyethyl)pyrazine-2,6-diamine?
The canonical SMILES for 2-N,2-N-bis(2-ethoxyethyl)pyrazine-2,6-diamine is CCOCCN(CCOCC)c1cncc(N)n1.
What is the InChIKey of 2-N,2-N-bis(2-ethoxyethyl)pyrazine-2,6-diamine?
The InChIKey is ZBAOVOGNPRPWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-3-17-7-5-16(6-8-18-4-2)12-10-14-9-11(13)15-12/h9-10H,3-8H2,1-2H3,(H2,13,15).
What are the key properties of 2-N,2-N-bis(2-ethoxyethyl)pyrazine-2,6-diamine?
2-N,2-N-bis(2-ethoxyethyl)pyrazine-2,6-diamine has a molecular weight of 254.33 g/mol, XLogP of 0.94, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-bis(2-ethoxyethyl)pyrazine-2,6-diamine is sourced from PubChem (CID 82952490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).