triazine;1H-1,2,4-triazole

C5H6N6 — CID 67486558

IUPACtriazine;1H-1,2,4-triazole
SMILESc1cnnnc1.c1nc[nH]n1
InChIInChI=1S/C3H3N3.C2H3N3/c1-2-4-6-5-3-1;1-3-2-5-4-1/h1-3H;1-2H,(H,3,4,5)
InChIKeyHTHTXGLHGXJZDQ-UHFFFAOYSA-N
MW150.14 g/mol
LogP-0.32
Rot. Bonds

About triazine;1H-1,2,4-triazole

triazine;1H-1,2,4-triazole (PubChem CID 67486558) has the molecular formula C5H6N6 and a molecular weight of 150.14 g/mol. Its IUPAC name is triazine;1H-1,2,4-triazole.

Molecular Properties

Compound Nametriazine;1H-1,2,4-triazole
PubChem CID67486558
Molecular FormulaC5H6N6
Molecular Weight150.14 g/mol
Exact Mass150.07
IUPAC Nametriazine;1H-1,2,4-triazole
SMILESc1cnnnc1.c1nc[nH]n1
InChIInChI=1S/C3H3N3.C2H3N3/c1-2-4-6-5-3-1;1-3-2-5-4-1/h1-3H;1-2H,(H,3,4,5)
InChIKeyHTHTXGLHGXJZDQ-UHFFFAOYSA-N
XLogP-0.32
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.14
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of triazine;1H-1,2,4-triazole?
The IUPAC name of triazine;1H-1,2,4-triazole (CID 67486558) is triazine;1H-1,2,4-triazole.
What is the SMILES notation for triazine;1H-1,2,4-triazole?
The canonical SMILES for triazine;1H-1,2,4-triazole is c1cnnnc1.c1nc[nH]n1.
What is the InChIKey of triazine;1H-1,2,4-triazole?
The InChIKey is HTHTXGLHGXJZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3N3.C2H3N3/c1-2-4-6-5-3-1;1-3-2-5-4-1/h1-3H;1-2H,(H,3,4,5).
What are the key properties of triazine;1H-1,2,4-triazole?
triazine;1H-1,2,4-triazole has a molecular weight of 150.14 g/mol, XLogP of -0.32, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for triazine;1H-1,2,4-triazole is sourced from PubChem (CID 67486558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).