2-(5-tert-butyl-4-methyl-1,2,4-triazol-3-yl)pyrazine

C11H15N5 — CID 129175055

IUPAC2-(5-tert-butyl-4-methyl-1,2,4-triazol-3-yl)pyrazine
SMILESCn1c(-c2cnccn2)nnc1C(C)(C)C
InChIInChI=1S/C11H15N5/c1-11(2,3)10-15-14-9(16(10)4)8-7-12-5-6-13-8/h5-7H,1-4H3
InChIKeyWOGDCWGGVMNARJ-UHFFFAOYSA-N
MW217.28 g/mol
LogP1.57
Rot. Bonds1

About 2-(5-tert-butyl-4-methyl-1,2,4-triazol-3-yl)pyrazine

2-(5-tert-butyl-4-methyl-1,2,4-triazol-3-yl)pyrazine (PubChem CID 129175055) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is 2-(5-tert-butyl-4-methyl-1,2,4-triazol-3-yl)pyrazine.

Molecular Properties

Compound Name2-(5-tert-butyl-4-methyl-1,2,4-triazol-3-yl)pyrazine
PubChem CID129175055
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC Name2-(5-tert-butyl-4-methyl-1,2,4-triazol-3-yl)pyrazine
SMILESCn1c(-c2cnccn2)nnc1C(C)(C)C
InChIInChI=1S/C11H15N5/c1-11(2,3)10-15-14-9(16(10)4)8-7-12-5-6-13-8/h5-7H,1-4H3
InChIKeyWOGDCWGGVMNARJ-UHFFFAOYSA-N
XLogP1.57
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butyl-4-methyl-1,2,4-triazol-3-yl)pyrazine?
The IUPAC name of 2-(5-tert-butyl-4-methyl-1,2,4-triazol-3-yl)pyrazine (CID 129175055) is 2-(5-tert-butyl-4-methyl-1,2,4-triazol-3-yl)pyrazine.
What is the SMILES notation for 2-(5-tert-butyl-4-methyl-1,2,4-triazol-3-yl)pyrazine?
The canonical SMILES for 2-(5-tert-butyl-4-methyl-1,2,4-triazol-3-yl)pyrazine is Cn1c(-c2cnccn2)nnc1C(C)(C)C.
What is the InChIKey of 2-(5-tert-butyl-4-methyl-1,2,4-triazol-3-yl)pyrazine?
The InChIKey is WOGDCWGGVMNARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5/c1-11(2,3)10-15-14-9(16(10)4)8-7-12-5-6-13-8/h5-7H,1-4H3.
What are the key properties of 2-(5-tert-butyl-4-methyl-1,2,4-triazol-3-yl)pyrazine?
2-(5-tert-butyl-4-methyl-1,2,4-triazol-3-yl)pyrazine has a molecular weight of 217.28 g/mol, XLogP of 1.57, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-tert-butyl-4-methyl-1,2,4-triazol-3-yl)pyrazine is sourced from PubChem (CID 129175055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).