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

C7H7N5 — CID 15455218

IUPAC2-(4-methyl-1,2,4-triazol-3-yl)pyrazine
SMILESCn1cnnc1-c1cnccn1
InChIInChI=1S/C7H7N5/c1-12-5-10-11-7(12)6-4-8-2-3-9-6/h2-5H,1H3
InChIKeyFWXGCZIPPDQMGI-UHFFFAOYSA-N
MW161.17 g/mol
LogP0.27
Rot. Bonds1

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

2-(4-methyl-1,2,4-triazol-3-yl)pyrazine (PubChem CID 15455218) has the molecular formula C7H7N5 and a molecular weight of 161.17 g/mol. Its IUPAC name is 2-(4-methyl-1,2,4-triazol-3-yl)pyrazine.

Molecular Properties

Compound Name2-(4-methyl-1,2,4-triazol-3-yl)pyrazine
PubChem CID15455218
Molecular FormulaC7H7N5
Molecular Weight161.17 g/mol
Exact Mass161.07
IUPAC Name2-(4-methyl-1,2,4-triazol-3-yl)pyrazine
SMILESCn1cnnc1-c1cnccn1
InChIInChI=1S/C7H7N5/c1-12-5-10-11-7(12)6-4-8-2-3-9-6/h2-5H,1H3
InChIKeyFWXGCZIPPDQMGI-UHFFFAOYSA-N
XLogP0.27
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 ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,2,4-triazol-3-yl)pyrazine?
The IUPAC name of 2-(4-methyl-1,2,4-triazol-3-yl)pyrazine (CID 15455218) is 2-(4-methyl-1,2,4-triazol-3-yl)pyrazine.
What is the SMILES notation for 2-(4-methyl-1,2,4-triazol-3-yl)pyrazine?
The canonical SMILES for 2-(4-methyl-1,2,4-triazol-3-yl)pyrazine is Cn1cnnc1-c1cnccn1.
What is the InChIKey of 2-(4-methyl-1,2,4-triazol-3-yl)pyrazine?
The InChIKey is FWXGCZIPPDQMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5/c1-12-5-10-11-7(12)6-4-8-2-3-9-6/h2-5H,1H3.
What are the key properties of 2-(4-methyl-1,2,4-triazol-3-yl)pyrazine?
2-(4-methyl-1,2,4-triazol-3-yl)pyrazine has a molecular weight of 161.17 g/mol, XLogP of 0.27, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,2,4-triazol-3-yl)pyrazine is sourced from PubChem (CID 15455218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).