2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]pyrazine

C8H9N5O — CID 46398010

IUPAC2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]pyrazine
SMILESCOCc1nc(-c2cnccn2)n[nH]1
InChIInChI=1S/C8H9N5O/c1-14-5-7-11-8(13-12-7)6-4-9-2-3-10-6/h2-4H,5H2,1H3,(H,11,12,13)
InChIKeyGBKOMWRGOSDCGD-UHFFFAOYSA-N
MW191.19 g/mol
LogP0.41
Rot. Bonds3

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

2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]pyrazine (PubChem CID 46398010) has the molecular formula C8H9N5O and a molecular weight of 191.19 g/mol. Its IUPAC name is 2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]pyrazine.

Molecular Properties

Compound Name2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]pyrazine
PubChem CID46398010
Molecular FormulaC8H9N5O
Molecular Weight191.19 g/mol
Exact Mass191.08
IUPAC Name2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]pyrazine
SMILESCOCc1nc(-c2cnccn2)n[nH]1
InChIInChI=1S/C8H9N5O/c1-14-5-7-11-8(13-12-7)6-4-9-2-3-10-6/h2-4H,5H2,1H3,(H,11,12,13)
InChIKeyGBKOMWRGOSDCGD-UHFFFAOYSA-N
XLogP0.41
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]pyrazine?
The IUPAC name of 2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]pyrazine (CID 46398010) is 2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]pyrazine.
What is the SMILES notation for 2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]pyrazine?
The canonical SMILES for 2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]pyrazine is COCc1nc(-c2cnccn2)n[nH]1.
What is the InChIKey of 2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]pyrazine?
The InChIKey is GBKOMWRGOSDCGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O/c1-14-5-7-11-8(13-12-7)6-4-9-2-3-10-6/h2-4H,5H2,1H3,(H,11,12,13).
What are the key properties of 2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]pyrazine?
2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]pyrazine has a molecular weight of 191.19 g/mol, XLogP of 0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]pyrazine is sourced from PubChem (CID 46398010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).