7-(4-fluorophenyl)-2-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-amine

C16H13FN6 — CID 135823162

IUPAC7-(4-fluorophenyl)-2-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-amine
SMILESNC1=NC(c2ccc(F)cc2)n2nc(-c3ccccc3)nc2N1
InChIInChI=1S/C16H13FN6/c17-12-8-6-11(7-9-12)14-20-15(18)21-16-19-13(22-23(14)16)10-4-2-1-3-5-10/h1-9,14H,(H3,18,19,20,21,22)
InChIKeyMWADFMPGRLIHJJ-UHFFFAOYSA-N
MW308.32 g/mol
LogP2.37
Rot. Bonds2

About 7-(4-fluorophenyl)-2-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-amine

7-(4-fluorophenyl)-2-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-amine (PubChem CID 135823162) has the molecular formula C16H13FN6 and a molecular weight of 308.32 g/mol. Its IUPAC name is 7-(4-fluorophenyl)-2-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-amine.

Molecular Properties

Compound Name7-(4-fluorophenyl)-2-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-amine
PubChem CID135823162
Molecular FormulaC16H13FN6
Molecular Weight308.32 g/mol
Exact Mass308.12
IUPAC Name7-(4-fluorophenyl)-2-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-amine
SMILESNC1=NC(c2ccc(F)cc2)n2nc(-c3ccccc3)nc2N1
InChIInChI=1S/C16H13FN6/c17-12-8-6-11(7-9-12)14-20-15(18)21-16-19-13(22-23(14)16)10-4-2-1-3-5-10/h1-9,14H,(H3,18,19,20,21,22)
InChIKeyMWADFMPGRLIHJJ-UHFFFAOYSA-N
XLogP2.37
TPSA81.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.32
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(4-fluorophenyl)-2-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-amine?
The IUPAC name of 7-(4-fluorophenyl)-2-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-amine (CID 135823162) is 7-(4-fluorophenyl)-2-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-amine.
What is the SMILES notation for 7-(4-fluorophenyl)-2-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-amine?
The canonical SMILES for 7-(4-fluorophenyl)-2-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-amine is NC1=NC(c2ccc(F)cc2)n2nc(-c3ccccc3)nc2N1.
What is the InChIKey of 7-(4-fluorophenyl)-2-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-amine?
The InChIKey is MWADFMPGRLIHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN6/c17-12-8-6-11(7-9-12)14-20-15(18)21-16-19-13(22-23(14)16)10-4-2-1-3-5-10/h1-9,14H,(H3,18,19,20,21,22).
What are the key properties of 7-(4-fluorophenyl)-2-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-amine?
7-(4-fluorophenyl)-2-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-amine has a molecular weight of 308.32 g/mol, XLogP of 2.37, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorophenyl)-2-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-amine is sourced from PubChem (CID 135823162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).