2-(2,3-dimethyl-1H-1,2,4-triazol-2-ium-5-yl)pyrazine

C8H10N5+ — CID 71593388

IUPAC2-(2,3-dimethyl-1H-1,2,4-triazol-2-ium-5-yl)pyrazine
SMILESCc1nc(-c2cnccn2)[nH][n+]1C
InChIInChI=1S/C8H9N5/c1-6-11-8(12-13(6)2)7-5-9-3-4-10-7/h3-5H,1-2H3/p+1
InChIKeyDCYRPOXVFXBGSB-UHFFFAOYSA-O
MW176.20 g/mol
LogP-0.00
Rot. Bonds1

About 2-(2,3-dimethyl-1H-1,2,4-triazol-2-ium-5-yl)pyrazine

2-(2,3-dimethyl-1H-1,2,4-triazol-2-ium-5-yl)pyrazine (PubChem CID 71593388) has the molecular formula C8H10N5+ and a molecular weight of 176.20 g/mol. Its IUPAC name is 2-(2,3-dimethyl-1H-1,2,4-triazol-2-ium-5-yl)pyrazine.

Molecular Properties

Compound Name2-(2,3-dimethyl-1H-1,2,4-triazol-2-ium-5-yl)pyrazine
PubChem CID71593388
Molecular FormulaC8H10N5+
Molecular Weight176.20 g/mol
Exact Mass176.09
IUPAC Name2-(2,3-dimethyl-1H-1,2,4-triazol-2-ium-5-yl)pyrazine
SMILESCc1nc(-c2cnccn2)[nH][n+]1C
InChIInChI=1S/C8H9N5/c1-6-11-8(12-13(6)2)7-5-9-3-4-10-7/h3-5H,1-2H3/p+1
InChIKeyDCYRPOXVFXBGSB-UHFFFAOYSA-O
XLogP-0.00
TPSA58.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.20
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(2,3-dimethyl-1H-1,2,4-triazol-2-ium-5-yl)pyrazine?
The IUPAC name of 2-(2,3-dimethyl-1H-1,2,4-triazol-2-ium-5-yl)pyrazine (CID 71593388) is 2-(2,3-dimethyl-1H-1,2,4-triazol-2-ium-5-yl)pyrazine.
What is the SMILES notation for 2-(2,3-dimethyl-1H-1,2,4-triazol-2-ium-5-yl)pyrazine?
The canonical SMILES for 2-(2,3-dimethyl-1H-1,2,4-triazol-2-ium-5-yl)pyrazine is Cc1nc(-c2cnccn2)[nH][n+]1C.
What is the InChIKey of 2-(2,3-dimethyl-1H-1,2,4-triazol-2-ium-5-yl)pyrazine?
The InChIKey is DCYRPOXVFXBGSB-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H9N5/c1-6-11-8(12-13(6)2)7-5-9-3-4-10-7/h3-5H,1-2H3/p+1.
What are the key properties of 2-(2,3-dimethyl-1H-1,2,4-triazol-2-ium-5-yl)pyrazine?
2-(2,3-dimethyl-1H-1,2,4-triazol-2-ium-5-yl)pyrazine has a molecular weight of 176.20 g/mol, XLogP of -0.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethyl-1H-1,2,4-triazol-2-ium-5-yl)pyrazine is sourced from PubChem (CID 71593388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).