2-methoxy-6-(5-pyrazin-2-yl-1H-1,2,4-triazol-3-yl)pyrazine

C11H9N7O — CID 71593360

IUPAC2-methoxy-6-(5-pyrazin-2-yl-1H-1,2,4-triazol-3-yl)pyrazine
SMILESCOc1cncc(-c2n[nH]c(-c3cnccn3)n2)n1
InChIInChI=1S/C11H9N7O/c1-19-9-6-13-5-8(15-9)11-16-10(17-18-11)7-4-12-2-3-14-7/h2-6H,1H3,(H,16,17,18)
InChIKeyVDLTZASNUHLBPG-UHFFFAOYSA-N
MW255.24 g/mol
LogP0.73
Rot. Bonds3

About 2-methoxy-6-(5-pyrazin-2-yl-1H-1,2,4-triazol-3-yl)pyrazine

2-methoxy-6-(5-pyrazin-2-yl-1H-1,2,4-triazol-3-yl)pyrazine (PubChem CID 71593360) has the molecular formula C11H9N7O and a molecular weight of 255.24 g/mol. Its IUPAC name is 2-methoxy-6-(5-pyrazin-2-yl-1H-1,2,4-triazol-3-yl)pyrazine.

Molecular Properties

Compound Name2-methoxy-6-(5-pyrazin-2-yl-1H-1,2,4-triazol-3-yl)pyrazine
PubChem CID71593360
Molecular FormulaC11H9N7O
Molecular Weight255.24 g/mol
Exact Mass255.09
IUPAC Name2-methoxy-6-(5-pyrazin-2-yl-1H-1,2,4-triazol-3-yl)pyrazine
SMILESCOc1cncc(-c2n[nH]c(-c3cnccn3)n2)n1
InChIInChI=1S/C11H9N7O/c1-19-9-6-13-5-8(15-9)11-16-10(17-18-11)7-4-12-2-3-14-7/h2-6H,1H3,(H,16,17,18)
InChIKeyVDLTZASNUHLBPG-UHFFFAOYSA-N
XLogP0.73
TPSA102.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-(5-pyrazin-2-yl-1H-1,2,4-triazol-3-yl)pyrazine?
The IUPAC name of 2-methoxy-6-(5-pyrazin-2-yl-1H-1,2,4-triazol-3-yl)pyrazine (CID 71593360) is 2-methoxy-6-(5-pyrazin-2-yl-1H-1,2,4-triazol-3-yl)pyrazine.
What is the SMILES notation for 2-methoxy-6-(5-pyrazin-2-yl-1H-1,2,4-triazol-3-yl)pyrazine?
The canonical SMILES for 2-methoxy-6-(5-pyrazin-2-yl-1H-1,2,4-triazol-3-yl)pyrazine is COc1cncc(-c2n[nH]c(-c3cnccn3)n2)n1.
What is the InChIKey of 2-methoxy-6-(5-pyrazin-2-yl-1H-1,2,4-triazol-3-yl)pyrazine?
The InChIKey is VDLTZASNUHLBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N7O/c1-19-9-6-13-5-8(15-9)11-16-10(17-18-11)7-4-12-2-3-14-7/h2-6H,1H3,(H,16,17,18).
What are the key properties of 2-methoxy-6-(5-pyrazin-2-yl-1H-1,2,4-triazol-3-yl)pyrazine?
2-methoxy-6-(5-pyrazin-2-yl-1H-1,2,4-triazol-3-yl)pyrazine has a molecular weight of 255.24 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-(5-pyrazin-2-yl-1H-1,2,4-triazol-3-yl)pyrazine is sourced from PubChem (CID 71593360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).