2-methoxy-6-[3-(6-methoxypyrazin-2-yl)-1H-1,2,4-triazol-5-yl]pyrazine

C12H11N7O2 — CID 71593361

IUPAC2-methoxy-6-[3-(6-methoxypyrazin-2-yl)-1H-1,2,4-triazol-5-yl]pyrazine
SMILESCOc1cncc(-c2n[nH]c(-c3cncc(OC)n3)n2)n1
InChIInChI=1S/C12H11N7O2/c1-20-9-5-13-3-7(15-9)11-17-12(19-18-11)8-4-14-6-10(16-8)21-2/h3-6H,1-2H3,(H,17,18,19)
InChIKeyVBPRTBAATCKXNX-UHFFFAOYSA-N
MW285.27 g/mol
LogP0.74
Rot. Bonds4

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

2-methoxy-6-[3-(6-methoxypyrazin-2-yl)-1H-1,2,4-triazol-5-yl]pyrazine (PubChem CID 71593361) has the molecular formula C12H11N7O2 and a molecular weight of 285.27 g/mol. Its IUPAC name is 2-methoxy-6-[3-(6-methoxypyrazin-2-yl)-1H-1,2,4-triazol-5-yl]pyrazine.

Molecular Properties

Compound Name2-methoxy-6-[3-(6-methoxypyrazin-2-yl)-1H-1,2,4-triazol-5-yl]pyrazine
PubChem CID71593361
Molecular FormulaC12H11N7O2
Molecular Weight285.27 g/mol
Exact Mass285.10
IUPAC Name2-methoxy-6-[3-(6-methoxypyrazin-2-yl)-1H-1,2,4-triazol-5-yl]pyrazine
SMILESCOc1cncc(-c2n[nH]c(-c3cncc(OC)n3)n2)n1
InChIInChI=1S/C12H11N7O2/c1-20-9-5-13-3-7(15-9)11-17-12(19-18-11)8-4-14-6-10(16-8)21-2/h3-6H,1-2H3,(H,17,18,19)
InChIKeyVBPRTBAATCKXNX-UHFFFAOYSA-N
XLogP0.74
TPSA111.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-[3-(6-methoxypyrazin-2-yl)-1H-1,2,4-triazol-5-yl]pyrazine?
The IUPAC name of 2-methoxy-6-[3-(6-methoxypyrazin-2-yl)-1H-1,2,4-triazol-5-yl]pyrazine (CID 71593361) is 2-methoxy-6-[3-(6-methoxypyrazin-2-yl)-1H-1,2,4-triazol-5-yl]pyrazine.
What is the SMILES notation for 2-methoxy-6-[3-(6-methoxypyrazin-2-yl)-1H-1,2,4-triazol-5-yl]pyrazine?
The canonical SMILES for 2-methoxy-6-[3-(6-methoxypyrazin-2-yl)-1H-1,2,4-triazol-5-yl]pyrazine is COc1cncc(-c2n[nH]c(-c3cncc(OC)n3)n2)n1.
What is the InChIKey of 2-methoxy-6-[3-(6-methoxypyrazin-2-yl)-1H-1,2,4-triazol-5-yl]pyrazine?
The InChIKey is VBPRTBAATCKXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N7O2/c1-20-9-5-13-3-7(15-9)11-17-12(19-18-11)8-4-14-6-10(16-8)21-2/h3-6H,1-2H3,(H,17,18,19).
What are the key properties of 2-methoxy-6-[3-(6-methoxypyrazin-2-yl)-1H-1,2,4-triazol-5-yl]pyrazine?
2-methoxy-6-[3-(6-methoxypyrazin-2-yl)-1H-1,2,4-triazol-5-yl]pyrazine has a molecular weight of 285.27 g/mol, XLogP of 0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-[3-(6-methoxypyrazin-2-yl)-1H-1,2,4-triazol-5-yl]pyrazine is sourced from PubChem (CID 71593361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).