2,5-diethyl-3,6-bis(oxiran-2-ylmethoxymethyl)pyrazine

C16H24N2O4 — CID 170966160

IUPAC2,5-diethyl-3,6-bis(oxiran-2-ylmethoxymethyl)pyrazine
SMILESCCc1nc(COCC2CO2)c(CC)nc1COCC1CO1
InChIInChI=1S/C16H24N2O4/c1-3-13-15(9-19-5-11-7-21-11)18-14(4-2)16(17-13)10-20-6-12-8-22-12/h11-12H,3-10H2,1-2H3
InChIKeyOOCACNDPNUZUKT-UHFFFAOYSA-N
MW308.38 g/mol
LogP1.43
Rot. Bonds10

About 2,5-diethyl-3,6-bis(oxiran-2-ylmethoxymethyl)pyrazine

2,5-diethyl-3,6-bis(oxiran-2-ylmethoxymethyl)pyrazine (PubChem CID 170966160) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is 2,5-diethyl-3,6-bis(oxiran-2-ylmethoxymethyl)pyrazine.

Molecular Properties

Compound Name2,5-diethyl-3,6-bis(oxiran-2-ylmethoxymethyl)pyrazine
PubChem CID170966160
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Name2,5-diethyl-3,6-bis(oxiran-2-ylmethoxymethyl)pyrazine
SMILESCCc1nc(COCC2CO2)c(CC)nc1COCC1CO1
InChIInChI=1S/C16H24N2O4/c1-3-13-15(9-19-5-11-7-21-11)18-14(4-2)16(17-13)10-20-6-12-8-22-12/h11-12H,3-10H2,1-2H3
InChIKeyOOCACNDPNUZUKT-UHFFFAOYSA-N
XLogP1.43
TPSA69.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2,5-bis[(2R)-1,4-dioxan-2-yl]-3,6-dimethylpyrazine
CID 135029947
2,5-Bis(1,4-dioxan-2-yl)-3,6-dimethylpyrazine
CID 156770958
2,5-Bis(oxiran-2-ylmethoxymethyl)-3,6-dipropylpyrazine
CID 170966112
2,5-Bis(2-methylpropyl)-3,6-bis(oxiran-2-ylmethoxymethyl)pyrazine
CID 170966124
2,5-Dimethyl-3,6-bis(oxiran-2-ylmethoxymethyl)pyrazine
CID 170966131
2-(Ethoxymethoxymethyl)-3,6-diethyl-5-(oxiran-2-ylmethoxymethyl)pyrazine
CID 170966141
2,5-Dimethyl-3,6-bis[1-(oxiran-2-ylmethoxy)ethyl]pyrazine
CID 170966144
2,5-Dibutyl-3,6-bis(oxiran-2-ylmethoxymethyl)pyrazine
CID 170966163
2,5-Dibutyl-3-(ethoxymethyl)-6-(oxiran-2-ylmethoxymethyl)pyrazine
CID 170966166
2,5-Dimethyl-3,6-bis[2-(oxiran-2-ylmethoxy)ethyl]pyrazine
CID 170966167

Frequently Asked Questions

What is the IUPAC name of 2,5-diethyl-3,6-bis(oxiran-2-ylmethoxymethyl)pyrazine?
The IUPAC name of 2,5-diethyl-3,6-bis(oxiran-2-ylmethoxymethyl)pyrazine (CID 170966160) is 2,5-diethyl-3,6-bis(oxiran-2-ylmethoxymethyl)pyrazine.
What is the SMILES notation for 2,5-diethyl-3,6-bis(oxiran-2-ylmethoxymethyl)pyrazine?
The canonical SMILES for 2,5-diethyl-3,6-bis(oxiran-2-ylmethoxymethyl)pyrazine is CCc1nc(COCC2CO2)c(CC)nc1COCC1CO1.
What is the InChIKey of 2,5-diethyl-3,6-bis(oxiran-2-ylmethoxymethyl)pyrazine?
The InChIKey is OOCACNDPNUZUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-3-13-15(9-19-5-11-7-21-11)18-14(4-2)16(17-13)10-20-6-12-8-22-12/h11-12H,3-10H2,1-2H3.
What are the key properties of 2,5-diethyl-3,6-bis(oxiran-2-ylmethoxymethyl)pyrazine?
2,5-diethyl-3,6-bis(oxiran-2-ylmethoxymethyl)pyrazine has a molecular weight of 308.38 g/mol, XLogP of 1.43, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diethyl-3,6-bis(oxiran-2-ylmethoxymethyl)pyrazine is sourced from PubChem (CID 170966160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).