2-methyl-3-(1,2,4-triazol-1-yl)pyrazine

C7H7N5 — CID 83066557

IUPAC2-methyl-3-(1,2,4-triazol-1-yl)pyrazine
SMILESCc1nccnc1-n1cncn1
InChIInChI=1S/C7H7N5/c1-6-7(10-3-2-9-6)12-5-8-4-11-12/h2-5H,1H3
InChIKeyURVIORRNLWLJHY-UHFFFAOYSA-N
MW161.17 g/mol
LogP0.37
Rot. Bonds1

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

2-methyl-3-(1,2,4-triazol-1-yl)pyrazine (PubChem CID 83066557) has the molecular formula C7H7N5 and a molecular weight of 161.17 g/mol. Its IUPAC name is 2-methyl-3-(1,2,4-triazol-1-yl)pyrazine.

Molecular Properties

Compound Name2-methyl-3-(1,2,4-triazol-1-yl)pyrazine
PubChem CID83066557
Molecular FormulaC7H7N5
Molecular Weight161.17 g/mol
Exact Mass161.07
IUPAC Name2-methyl-3-(1,2,4-triazol-1-yl)pyrazine
SMILESCc1nccnc1-n1cncn1
InChIInChI=1S/C7H7N5/c1-6-7(10-3-2-9-6)12-5-8-4-11-12/h2-5H,1H3
InChIKeyURVIORRNLWLJHY-UHFFFAOYSA-N
XLogP0.37
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.17
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(1,2,4-triazol-1-yl)pyrazine?
The IUPAC name of 2-methyl-3-(1,2,4-triazol-1-yl)pyrazine (CID 83066557) is 2-methyl-3-(1,2,4-triazol-1-yl)pyrazine.
What is the SMILES notation for 2-methyl-3-(1,2,4-triazol-1-yl)pyrazine?
The canonical SMILES for 2-methyl-3-(1,2,4-triazol-1-yl)pyrazine is Cc1nccnc1-n1cncn1.
What is the InChIKey of 2-methyl-3-(1,2,4-triazol-1-yl)pyrazine?
The InChIKey is URVIORRNLWLJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5/c1-6-7(10-3-2-9-6)12-5-8-4-11-12/h2-5H,1H3.
What are the key properties of 2-methyl-3-(1,2,4-triazol-1-yl)pyrazine?
2-methyl-3-(1,2,4-triazol-1-yl)pyrazine has a molecular weight of 161.17 g/mol, XLogP of 0.37, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(1,2,4-triazol-1-yl)pyrazine is sourced from PubChem (CID 83066557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).