5,7-diphenyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-2-amine

C16H12N6 — CID 11266206

IUPAC5,7-diphenyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-2-amine
SMILESNc1nc2nc(-c3ccccc3)nc(-c3ccccc3)n2n1
InChIInChI=1S/C16H12N6/c17-15-20-16-19-13(11-7-3-1-4-8-11)18-14(22(16)21-15)12-9-5-2-6-10-12/h1-10H,(H2,17,21)
InChIKeyLGVYMLFFYQOQEE-UHFFFAOYSA-N
MW288.31 g/mol
LogP2.44
Rot. Bonds2

About 5,7-diphenyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-2-amine

5,7-diphenyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-2-amine (PubChem CID 11266206) has the molecular formula C16H12N6 and a molecular weight of 288.31 g/mol. Its IUPAC name is 5,7-diphenyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-2-amine.

Molecular Properties

Compound Name5,7-diphenyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-2-amine
PubChem CID11266206
Molecular FormulaC16H12N6
Molecular Weight288.31 g/mol
Exact Mass288.11
IUPAC Name5,7-diphenyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-2-amine
SMILESNc1nc2nc(-c3ccccc3)nc(-c3ccccc3)n2n1
InChIInChI=1S/C16H12N6/c17-15-20-16-19-13(11-7-3-1-4-8-11)18-14(22(16)21-15)12-9-5-2-6-10-12/h1-10H,(H2,17,21)
InChIKeyLGVYMLFFYQOQEE-UHFFFAOYSA-N
XLogP2.44
TPSA81.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,5-Diphenyl-1H-1,2,4-triazole
CID 16260
4-Benzyl-5-phenyl-1,2,4-triazol-3-amine
CID 15563296
3,5-Diphenyl-4H-1,2,4-triazol-4-amine
CID 229821
1-methyl-3-phenyl-1H-1,2,4-triazol-5-amine
CID 12581307
1-Benzyl-3,5-diphenyl-1,2,4-triazole
CID 856237
3-Phenyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridine
CID 1478281
39080-35-8
CID 351015
3-Methyl-5,7-diphenyl[1,2,4]triazolo[4,3-a][1,3,5]triazine
CID 253500
4-[(4-Fluorophenyl)methyl]-5-phenyl-1,2,4-triazol-3-amine
CID 118726300
3,5-bis(2-methylphenyl)-4H-1,2,4-triazol-4-amine
CID 2768030
1H-1,2,4-Triazole, 1-methyl-3,5-diphenyl-
CID 4585579
3,5-Bis(3-methylphenyl)-1,2,4-triazol-4-amine
CID 10801573

Frequently Asked Questions

What is the IUPAC name of 5,7-diphenyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-2-amine?
The IUPAC name of 5,7-diphenyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-2-amine (CID 11266206) is 5,7-diphenyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-2-amine.
What is the SMILES notation for 5,7-diphenyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-2-amine?
The canonical SMILES for 5,7-diphenyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-2-amine is Nc1nc2nc(-c3ccccc3)nc(-c3ccccc3)n2n1.
What is the InChIKey of 5,7-diphenyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-2-amine?
The InChIKey is LGVYMLFFYQOQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N6/c17-15-20-16-19-13(11-7-3-1-4-8-11)18-14(22(16)21-15)12-9-5-2-6-10-12/h1-10H,(H2,17,21).
What are the key properties of 5,7-diphenyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-2-amine?
5,7-diphenyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-2-amine has a molecular weight of 288.31 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-diphenyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-2-amine is sourced from PubChem (CID 11266206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).