2-methoxy-6-(2-methyl-1H-1,2,4-triazol-2-ium-5-yl)pyrazine

C8H10N5O+ — CID 71593363

IUPAC2-methoxy-6-(2-methyl-1H-1,2,4-triazol-2-ium-5-yl)pyrazine
SMILESCOc1cncc(-c2nc[n+](C)[nH]2)n1
InChIInChI=1S/C8H9N5O/c1-13-5-10-8(12-13)6-3-9-4-7(11-6)14-2/h3-5H,1-2H3/p+1
InChIKeyHSPRQLBSIFAVQK-UHFFFAOYSA-O
MW192.20 g/mol
LogP-0.30
Rot. Bonds2

About 2-methoxy-6-(2-methyl-1H-1,2,4-triazol-2-ium-5-yl)pyrazine

2-methoxy-6-(2-methyl-1H-1,2,4-triazol-2-ium-5-yl)pyrazine (PubChem CID 71593363) has the molecular formula C8H10N5O+ and a molecular weight of 192.20 g/mol. Its IUPAC name is 2-methoxy-6-(2-methyl-1H-1,2,4-triazol-2-ium-5-yl)pyrazine.

Molecular Properties

Compound Name2-methoxy-6-(2-methyl-1H-1,2,4-triazol-2-ium-5-yl)pyrazine
PubChem CID71593363
Molecular FormulaC8H10N5O+
Molecular Weight192.20 g/mol
Exact Mass192.09
IUPAC Name2-methoxy-6-(2-methyl-1H-1,2,4-triazol-2-ium-5-yl)pyrazine
SMILESCOc1cncc(-c2nc[n+](C)[nH]2)n1
InChIInChI=1S/C8H9N5O/c1-13-5-10-8(12-13)6-3-9-4-7(11-6)14-2/h3-5H,1-2H3/p+1
InChIKeyHSPRQLBSIFAVQK-UHFFFAOYSA-O
XLogP-0.30
TPSA67.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.20
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-(2-methyl-1H-1,2,4-triazol-2-ium-5-yl)pyrazine?
The IUPAC name of 2-methoxy-6-(2-methyl-1H-1,2,4-triazol-2-ium-5-yl)pyrazine (CID 71593363) is 2-methoxy-6-(2-methyl-1H-1,2,4-triazol-2-ium-5-yl)pyrazine.
What is the SMILES notation for 2-methoxy-6-(2-methyl-1H-1,2,4-triazol-2-ium-5-yl)pyrazine?
The canonical SMILES for 2-methoxy-6-(2-methyl-1H-1,2,4-triazol-2-ium-5-yl)pyrazine is COc1cncc(-c2nc[n+](C)[nH]2)n1.
What is the InChIKey of 2-methoxy-6-(2-methyl-1H-1,2,4-triazol-2-ium-5-yl)pyrazine?
The InChIKey is HSPRQLBSIFAVQK-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H9N5O/c1-13-5-10-8(12-13)6-3-9-4-7(11-6)14-2/h3-5H,1-2H3/p+1.
What are the key properties of 2-methoxy-6-(2-methyl-1H-1,2,4-triazol-2-ium-5-yl)pyrazine?
2-methoxy-6-(2-methyl-1H-1,2,4-triazol-2-ium-5-yl)pyrazine has a molecular weight of 192.20 g/mol, XLogP of -0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-(2-methyl-1H-1,2,4-triazol-2-ium-5-yl)pyrazine is sourced from PubChem (CID 71593363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).