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

C5H4N6 — CID 22228267

IUPAC4-(2H-triazol-4-yl)triazine
SMILESc1cc(-c2cn[nH]n2)nnn1
InChIInChI=1S/C5H4N6/c1-2-6-10-8-4(1)5-3-7-11-9-5/h1-3H,(H,7,9,11)
InChIKeyZJZBEOLMLHLLQG-UHFFFAOYSA-N
MW148.13 g/mol
LogP-0.34
Rot. Bonds1

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

4-(2H-triazol-4-yl)triazine (PubChem CID 22228267) has the molecular formula C5H4N6 and a molecular weight of 148.13 g/mol. Its IUPAC name is 4-(2H-triazol-4-yl)triazine.

Molecular Properties

Compound Name4-(2H-triazol-4-yl)triazine
PubChem CID22228267
Molecular FormulaC5H4N6
Molecular Weight148.13 g/mol
Exact Mass148.05
IUPAC Name4-(2H-triazol-4-yl)triazine
SMILESc1cc(-c2cn[nH]n2)nnn1
InChIInChI=1S/C5H4N6/c1-2-6-10-8-4(1)5-3-7-11-9-5/h1-3H,(H,7,9,11)
InChIKeyZJZBEOLMLHLLQG-UHFFFAOYSA-N
XLogP-0.34
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.13
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2H-triazol-4-yl)triazine?
The IUPAC name of 4-(2H-triazol-4-yl)triazine (CID 22228267) is 4-(2H-triazol-4-yl)triazine.
What is the SMILES notation for 4-(2H-triazol-4-yl)triazine?
The canonical SMILES for 4-(2H-triazol-4-yl)triazine is c1cc(-c2cn[nH]n2)nnn1.
What is the InChIKey of 4-(2H-triazol-4-yl)triazine?
The InChIKey is ZJZBEOLMLHLLQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N6/c1-2-6-10-8-4(1)5-3-7-11-9-5/h1-3H,(H,7,9,11).
What are the key properties of 4-(2H-triazol-4-yl)triazine?
4-(2H-triazol-4-yl)triazine has a molecular weight of 148.13 g/mol, XLogP of -0.34, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2H-triazol-4-yl)triazine is sourced from PubChem (CID 22228267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).