2-pyrazin-2-yl-5-[6-(5-pyrazin-2-ylpyrazin-2-yl)-1,4-dithiin-2-yl]pyrazine

C20H12N8S2 — CID 58816815

IUPAC2-pyrazin-2-yl-5-[6-(5-pyrazin-2-ylpyrazin-2-yl)-1,4-dithiin-2-yl]pyrazine
SMILESC1=C(c2cnc(-c3cnccn3)cn2)SC(c2cnc(-c3cnccn3)cn2)=CS1
InChIInChI=1S/C20H12N8S2/c1-3-23-13(5-21-1)15-7-27-17(9-25-15)19-11-29-12-20(30-19)18-10-26-16(8-28-18)14-6-22-2-4-24-14/h1-12H
InChIKeyNKMHOBMPLRSPCD-UHFFFAOYSA-N
MW428.51 g/mol
LogP3.96
Rot. Bonds4

About 2-pyrazin-2-yl-5-[6-(5-pyrazin-2-ylpyrazin-2-yl)-1,4-dithiin-2-yl]pyrazine

2-pyrazin-2-yl-5-[6-(5-pyrazin-2-ylpyrazin-2-yl)-1,4-dithiin-2-yl]pyrazine (PubChem CID 58816815) has the molecular formula C20H12N8S2 and a molecular weight of 428.51 g/mol. Its IUPAC name is 2-pyrazin-2-yl-5-[6-(5-pyrazin-2-ylpyrazin-2-yl)-1,4-dithiin-2-yl]pyrazine.

Molecular Properties

Compound Name2-pyrazin-2-yl-5-[6-(5-pyrazin-2-ylpyrazin-2-yl)-1,4-dithiin-2-yl]pyrazine
PubChem CID58816815
Molecular FormulaC20H12N8S2
Molecular Weight428.51 g/mol
Exact Mass428.06
IUPAC Name2-pyrazin-2-yl-5-[6-(5-pyrazin-2-ylpyrazin-2-yl)-1,4-dithiin-2-yl]pyrazine
SMILESC1=C(c2cnc(-c3cnccn3)cn2)SC(c2cnc(-c3cnccn3)cn2)=CS1
InChIInChI=1S/C20H12N8S2/c1-3-23-13(5-21-1)15-7-27-17(9-25-15)19-11-29-12-20(30-19)18-10-26-16(8-28-18)14-6-22-2-4-24-14/h1-12H
InChIKeyNKMHOBMPLRSPCD-UHFFFAOYSA-N
XLogP3.96
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.51
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-pyrazin-2-yl-5-[6-(5-pyrazin-2-ylpyrazin-2-yl)-1,4-dithiin-2-yl]pyrazine?
The IUPAC name of 2-pyrazin-2-yl-5-[6-(5-pyrazin-2-ylpyrazin-2-yl)-1,4-dithiin-2-yl]pyrazine (CID 58816815) is 2-pyrazin-2-yl-5-[6-(5-pyrazin-2-ylpyrazin-2-yl)-1,4-dithiin-2-yl]pyrazine.
What is the SMILES notation for 2-pyrazin-2-yl-5-[6-(5-pyrazin-2-ylpyrazin-2-yl)-1,4-dithiin-2-yl]pyrazine?
The canonical SMILES for 2-pyrazin-2-yl-5-[6-(5-pyrazin-2-ylpyrazin-2-yl)-1,4-dithiin-2-yl]pyrazine is C1=C(c2cnc(-c3cnccn3)cn2)SC(c2cnc(-c3cnccn3)cn2)=CS1.
What is the InChIKey of 2-pyrazin-2-yl-5-[6-(5-pyrazin-2-ylpyrazin-2-yl)-1,4-dithiin-2-yl]pyrazine?
The InChIKey is NKMHOBMPLRSPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12N8S2/c1-3-23-13(5-21-1)15-7-27-17(9-25-15)19-11-29-12-20(30-19)18-10-26-16(8-28-18)14-6-22-2-4-24-14/h1-12H.
What are the key properties of 2-pyrazin-2-yl-5-[6-(5-pyrazin-2-ylpyrazin-2-yl)-1,4-dithiin-2-yl]pyrazine?
2-pyrazin-2-yl-5-[6-(5-pyrazin-2-ylpyrazin-2-yl)-1,4-dithiin-2-yl]pyrazine has a molecular weight of 428.51 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazin-2-yl-5-[6-(5-pyrazin-2-ylpyrazin-2-yl)-1,4-dithiin-2-yl]pyrazine is sourced from PubChem (CID 58816815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).