sodium;3,5-dibromo-N-(2-methoxyethyl)-N-methylpyrazin-2-amine;hydride

C8H12Br2N3NaO — CID 87940756

IUPACsodium;3,5-dibromo-N-(2-methoxyethyl)-N-methylpyrazin-2-amine;hydride
SMILESCOCCN(C)c1ncc(Br)nc1Br.[H-].[Na+]
InChIInChI=1S/C8H11Br2N3O.Na.H/c1-13(3-4-14-2)8-7(10)12-6(9)5-11-8;;/h5H,3-4H2,1-2H3;;/q;+1;-1
InChIKeyDMJBMORAQVNINJ-UHFFFAOYSA-N
MW349.00 g/mol
LogP-0.80
Rot. Bonds4

About sodium;3,5-dibromo-N-(2-methoxyethyl)-N-methylpyrazin-2-amine;hydride

sodium;3,5-dibromo-N-(2-methoxyethyl)-N-methylpyrazin-2-amine;hydride (PubChem CID 87940756) has the molecular formula C8H12Br2N3NaO and a molecular weight of 349.00 g/mol. Its IUPAC name is sodium;3,5-dibromo-N-(2-methoxyethyl)-N-methylpyrazin-2-amine;hydride.

Molecular Properties

Compound Namesodium;3,5-dibromo-N-(2-methoxyethyl)-N-methylpyrazin-2-amine;hydride
PubChem CID87940756
Molecular FormulaC8H12Br2N3NaO
Molecular Weight349.00 g/mol
Exact Mass346.92
IUPAC Namesodium;3,5-dibromo-N-(2-methoxyethyl)-N-methylpyrazin-2-amine;hydride
SMILESCOCCN(C)c1ncc(Br)nc1Br.[H-].[Na+]
InChIInChI=1S/C8H11Br2N3O.Na.H/c1-13(3-4-14-2)8-7(10)12-6(9)5-11-8;;/h5H,3-4H2,1-2H3;;/q;+1;-1
InChIKeyDMJBMORAQVNINJ-UHFFFAOYSA-N
XLogP-0.80
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.00
LogP ≤ 5-0.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of sodium;3,5-dibromo-N-(2-methoxyethyl)-N-methylpyrazin-2-amine;hydride?
The IUPAC name of sodium;3,5-dibromo-N-(2-methoxyethyl)-N-methylpyrazin-2-amine;hydride (CID 87940756) is sodium;3,5-dibromo-N-(2-methoxyethyl)-N-methylpyrazin-2-amine;hydride.
What is the SMILES notation for sodium;3,5-dibromo-N-(2-methoxyethyl)-N-methylpyrazin-2-amine;hydride?
The canonical SMILES for sodium;3,5-dibromo-N-(2-methoxyethyl)-N-methylpyrazin-2-amine;hydride is COCCN(C)c1ncc(Br)nc1Br.[H-].[Na+].
What is the InChIKey of sodium;3,5-dibromo-N-(2-methoxyethyl)-N-methylpyrazin-2-amine;hydride?
The InChIKey is DMJBMORAQVNINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11Br2N3O.Na.H/c1-13(3-4-14-2)8-7(10)12-6(9)5-11-8;;/h5H,3-4H2,1-2H3;;/q;+1;-1.
What are the key properties of sodium;3,5-dibromo-N-(2-methoxyethyl)-N-methylpyrazin-2-amine;hydride?
sodium;3,5-dibromo-N-(2-methoxyethyl)-N-methylpyrazin-2-amine;hydride has a molecular weight of 349.00 g/mol, XLogP of -0.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;3,5-dibromo-N-(2-methoxyethyl)-N-methylpyrazin-2-amine;hydride is sourced from PubChem (CID 87940756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).