2-(2H-triazol-4-yl)-1,3,5-triazine

C5H4N6 — CID 54537303

IUPAC2-(2H-triazol-4-yl)-1,3,5-triazine
SMILESc1ncnc(-c2cn[nH]n2)n1
InChIInChI=1S/C5H4N6/c1-4(10-11-9-1)5-7-2-6-3-8-5/h1-3H,(H,9,10,11)
InChIKeyBWROPJIVGNEJPI-UHFFFAOYSA-N
MW148.13 g/mol
LogP-0.34
Rot. Bonds1

About 2-(2H-triazol-4-yl)-1,3,5-triazine

2-(2H-triazol-4-yl)-1,3,5-triazine (PubChem CID 54537303) has the molecular formula C5H4N6 and a molecular weight of 148.13 g/mol. Its IUPAC name is 2-(2H-triazol-4-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(2H-triazol-4-yl)-1,3,5-triazine
PubChem CID54537303
Molecular FormulaC5H4N6
Molecular Weight148.13 g/mol
Exact Mass148.05
IUPAC Name2-(2H-triazol-4-yl)-1,3,5-triazine
SMILESc1ncnc(-c2cn[nH]n2)n1
InChIInChI=1S/C5H4N6/c1-4(10-11-9-1)5-7-2-6-3-8-5/h1-3H,(H,9,10,11)
InChIKeyBWROPJIVGNEJPI-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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Related Compounds

2-(1H-1,2,3-triazol-5-yl)Pyrimidine
CID 9942181
1,2,4-Triazolyl-1,2,3-triazole
CID 18940321
Amino(triazolyl)pyrimidine
CID 80496095
2,4,6-tris(2H-triazol-4-yl)-1,3,5-triazine
CID 91018260
Azido(triazolyl)pyrimidine
CID 129797425
2-(1-methyl-1H-1,2,4-triazol-3-yl)pyrazine
CID 11252170
2-(2-Methyl-1,2,4-triazol-3-yl)pyrazine
CID 12145992
5-(1,3,5-Triazin-2-yl)tetrazine
CID 54349405
5-(1H-imidazol-2-yl)tetrazine
CID 68089385
5-[4-(2H-triazol-4-yl)-1,3,5-triazin-2-yl]tetrazine
CID 69427284
4-(2H-triazol-4-yl)-1,3,5-triazin-2-amine
CID 69731571
1-Ethyl-3-(2-methyltriazol-4-yl)-1,2,4-triazole
CID 70250351

Frequently Asked Questions

What is the IUPAC name of 2-(2H-triazol-4-yl)-1,3,5-triazine?
The IUPAC name of 2-(2H-triazol-4-yl)-1,3,5-triazine (CID 54537303) is 2-(2H-triazol-4-yl)-1,3,5-triazine.
What is the SMILES notation for 2-(2H-triazol-4-yl)-1,3,5-triazine?
The canonical SMILES for 2-(2H-triazol-4-yl)-1,3,5-triazine is c1ncnc(-c2cn[nH]n2)n1.
What is the InChIKey of 2-(2H-triazol-4-yl)-1,3,5-triazine?
The InChIKey is BWROPJIVGNEJPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N6/c1-4(10-11-9-1)5-7-2-6-3-8-5/h1-3H,(H,9,10,11).
What are the key properties of 2-(2H-triazol-4-yl)-1,3,5-triazine?
2-(2H-triazol-4-yl)-1,3,5-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 2-(2H-triazol-4-yl)-1,3,5-triazine is sourced from PubChem (CID 54537303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).