2-deuterio-3-pyrazin-2-ylpyrazine

C8H6N4 — CID 176902269

IUPAC2-deuterio-3-pyrazin-2-ylpyrazine
SMILES[2H]c1nccnc1-c1cnccn1
InChIInChI=1S/C8H6N4/c1-3-11-7(5-9-1)8-6-10-2-4-12-8/h1-6H/i5D
InChIKeyDFXNVSIALRDJHY-UICOGKGYSA-N
MW159.17 g/mol
LogP0.93
Rot. Bonds1

About 2-deuterio-3-pyrazin-2-ylpyrazine

2-deuterio-3-pyrazin-2-ylpyrazine (PubChem CID 176902269) has the molecular formula C8H6N4 and a molecular weight of 159.17 g/mol. Its IUPAC name is 2-deuterio-3-pyrazin-2-ylpyrazine.

Molecular Properties

Compound Name2-deuterio-3-pyrazin-2-ylpyrazine
PubChem CID176902269
Molecular FormulaC8H6N4
Molecular Weight159.17 g/mol
Exact Mass159.07
IUPAC Name2-deuterio-3-pyrazin-2-ylpyrazine
SMILES[2H]c1nccnc1-c1cnccn1
InChIInChI=1S/C8H6N4/c1-3-11-7(5-9-1)8-6-10-2-4-12-8/h1-6H/i5D
InChIKeyDFXNVSIALRDJHY-UICOGKGYSA-N
XLogP0.93
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.17
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-deuterio-3-pyrazin-2-ylpyrazine?
The IUPAC name of 2-deuterio-3-pyrazin-2-ylpyrazine (CID 176902269) is 2-deuterio-3-pyrazin-2-ylpyrazine.
What is the SMILES notation for 2-deuterio-3-pyrazin-2-ylpyrazine?
The canonical SMILES for 2-deuterio-3-pyrazin-2-ylpyrazine is [2H]c1nccnc1-c1cnccn1.
What is the InChIKey of 2-deuterio-3-pyrazin-2-ylpyrazine?
The InChIKey is DFXNVSIALRDJHY-UICOGKGYSA-N. The full InChI is InChI=1S/C8H6N4/c1-3-11-7(5-9-1)8-6-10-2-4-12-8/h1-6H/i5D.
What are the key properties of 2-deuterio-3-pyrazin-2-ylpyrazine?
2-deuterio-3-pyrazin-2-ylpyrazine has a molecular weight of 159.17 g/mol, XLogP of 0.93, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-deuterio-3-pyrazin-2-ylpyrazine is sourced from PubChem (CID 176902269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).