2-(2H-triazol-4-yl)pyrazine

C6H5N5 — CID 54337967

IUPAC2-(2H-triazol-4-yl)pyrazine
SMILESc1cnc(-c2cn[nH]n2)cn1
InChIInChI=1S/C6H5N5/c1-2-8-5(3-7-1)6-4-9-11-10-6/h1-4H,(H,9,10,11)
InChIKeyLQTPJFKKSLWSNB-UHFFFAOYSA-N
MW147.14 g/mol
LogP0.26
Rot. Bonds1

About 2-(2H-triazol-4-yl)pyrazine

2-(2H-triazol-4-yl)pyrazine (PubChem CID 54337967) has the molecular formula C6H5N5 and a molecular weight of 147.14 g/mol. Its IUPAC name is 2-(2H-triazol-4-yl)pyrazine.

Molecular Properties

Compound Name2-(2H-triazol-4-yl)pyrazine
PubChem CID54337967
Molecular FormulaC6H5N5
Molecular Weight147.14 g/mol
Exact Mass147.05
IUPAC Name2-(2H-triazol-4-yl)pyrazine
SMILESc1cnc(-c2cn[nH]n2)cn1
InChIInChI=1S/C6H5N5/c1-2-8-5(3-7-1)6-4-9-11-10-6/h1-4H,(H,9,10,11)
InChIKeyLQTPJFKKSLWSNB-UHFFFAOYSA-N
XLogP0.26
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.14
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2H-triazol-4-yl)pyrazine?
The IUPAC name of 2-(2H-triazol-4-yl)pyrazine (CID 54337967) is 2-(2H-triazol-4-yl)pyrazine.
What is the SMILES notation for 2-(2H-triazol-4-yl)pyrazine?
The canonical SMILES for 2-(2H-triazol-4-yl)pyrazine is c1cnc(-c2cn[nH]n2)cn1.
What is the InChIKey of 2-(2H-triazol-4-yl)pyrazine?
The InChIKey is LQTPJFKKSLWSNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N5/c1-2-8-5(3-7-1)6-4-9-11-10-6/h1-4H,(H,9,10,11).
What are the key properties of 2-(2H-triazol-4-yl)pyrazine?
2-(2H-triazol-4-yl)pyrazine has a molecular weight of 147.14 g/mol, XLogP of 0.26, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2H-triazol-4-yl)pyrazine is sourced from PubChem (CID 54337967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).