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

C8H9N5 — CID 18726597

IUPAC2-(4,5-dimethyl-1,2,4-triazol-3-yl)pyrazine
SMILESCc1nnc(-c2cnccn2)n1C
InChIInChI=1S/C8H9N5/c1-6-11-12-8(13(6)2)7-5-9-3-4-10-7/h3-5H,1-2H3
InChIKeyKAJBZDMLIQXURJ-UHFFFAOYSA-N
MW175.19 g/mol
LogP0.58
Rot. Bonds1

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

2-(4,5-dimethyl-1,2,4-triazol-3-yl)pyrazine (PubChem CID 18726597) has the molecular formula C8H9N5 and a molecular weight of 175.19 g/mol. Its IUPAC name is 2-(4,5-dimethyl-1,2,4-triazol-3-yl)pyrazine.

Molecular Properties

Compound Name2-(4,5-dimethyl-1,2,4-triazol-3-yl)pyrazine
PubChem CID18726597
Molecular FormulaC8H9N5
Molecular Weight175.19 g/mol
Exact Mass175.09
IUPAC Name2-(4,5-dimethyl-1,2,4-triazol-3-yl)pyrazine
SMILESCc1nnc(-c2cnccn2)n1C
InChIInChI=1S/C8H9N5/c1-6-11-12-8(13(6)2)7-5-9-3-4-10-7/h3-5H,1-2H3
InChIKeyKAJBZDMLIQXURJ-UHFFFAOYSA-N
XLogP0.58
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethyl-1,2,4-triazol-3-yl)pyrazine?
The IUPAC name of 2-(4,5-dimethyl-1,2,4-triazol-3-yl)pyrazine (CID 18726597) is 2-(4,5-dimethyl-1,2,4-triazol-3-yl)pyrazine.
What is the SMILES notation for 2-(4,5-dimethyl-1,2,4-triazol-3-yl)pyrazine?
The canonical SMILES for 2-(4,5-dimethyl-1,2,4-triazol-3-yl)pyrazine is Cc1nnc(-c2cnccn2)n1C.
What is the InChIKey of 2-(4,5-dimethyl-1,2,4-triazol-3-yl)pyrazine?
The InChIKey is KAJBZDMLIQXURJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5/c1-6-11-12-8(13(6)2)7-5-9-3-4-10-7/h3-5H,1-2H3.
What are the key properties of 2-(4,5-dimethyl-1,2,4-triazol-3-yl)pyrazine?
2-(4,5-dimethyl-1,2,4-triazol-3-yl)pyrazine has a molecular weight of 175.19 g/mol, XLogP of 0.58, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethyl-1,2,4-triazol-3-yl)pyrazine is sourced from PubChem (CID 18726597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).