6-(2-fluorophenoxy)-5-phenyl-1,2,4-triazin-3-amine

C15H11FN4O — CID 67363393

IUPAC6-(2-fluorophenoxy)-5-phenyl-1,2,4-triazin-3-amine
SMILESNc1nnc(Oc2ccccc2F)c(-c2ccccc2)n1
InChIInChI=1S/C15H11FN4O/c16-11-8-4-5-9-12(11)21-14-13(18-15(17)20-19-14)10-6-2-1-3-7-10/h1-9H,(H2,17,18,20)
InChIKeyDKSZPFUBXGEFEK-UHFFFAOYSA-N
MW282.28 g/mol
LogP3.05
Rot. Bonds3

About 6-(2-fluorophenoxy)-5-phenyl-1,2,4-triazin-3-amine

6-(2-fluorophenoxy)-5-phenyl-1,2,4-triazin-3-amine (PubChem CID 67363393) has the molecular formula C15H11FN4O and a molecular weight of 282.28 g/mol. Its IUPAC name is 6-(2-fluorophenoxy)-5-phenyl-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name6-(2-fluorophenoxy)-5-phenyl-1,2,4-triazin-3-amine
PubChem CID67363393
Molecular FormulaC15H11FN4O
Molecular Weight282.28 g/mol
Exact Mass282.09
IUPAC Name6-(2-fluorophenoxy)-5-phenyl-1,2,4-triazin-3-amine
SMILESNc1nnc(Oc2ccccc2F)c(-c2ccccc2)n1
InChIInChI=1S/C15H11FN4O/c16-11-8-4-5-9-12(11)21-14-13(18-15(17)20-19-14)10-6-2-1-3-7-10/h1-9H,(H2,17,18,20)
InChIKeyDKSZPFUBXGEFEK-UHFFFAOYSA-N
XLogP3.05
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.28
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2,4-dichlorophenoxy)-5-phenyl-1,2,4-triazin-3-amine
CID 67363152
4-(2-fluorophenoxy)quinazolin-2-amine
CID 80864583
5-phenyl-6-(2,2,2-trifluoroethoxy)-1,2,4-triazin-3-amine
CID 71238624
5-phenyl-6-[3-(trifluoromethoxy)phenoxy]-1,2,4-triazin-3-amine
CID 158457418
6-(2,6-dimethoxy-4-pyridinyl)-5-phenyl-1,2,4-triazin-3-amine
CID 67365074
6-(3-fluorophenyl)-5-phenyl-1,2,4-triazin-3-amine
CID 158796576
5-(4-fluorophenyl)-6-methyl-1,2,4-triazin-3-amine
CID 43134540
1,2-bis[2-[2-(2-fluorophenoxy)phenoxy]phenoxy]benzene
CID 22338502
ethane;1-fluoro-2-phenoxybenzene
CID 170962676
6-[3-fluoro-5-(trifluoromethyl)phenyl]-5-phenyl-1,2,4-triazin-3-amine
CID 53354631
6-phenyl-5-(1,1,2-trifluoroethoxy)-1,2,4-triazin-3-amine
CID 71238623
4-(2-fluorophenoxy)pyrimidin-5-amine
CID 79917585

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluorophenoxy)-5-phenyl-1,2,4-triazin-3-amine?
The IUPAC name of 6-(2-fluorophenoxy)-5-phenyl-1,2,4-triazin-3-amine (CID 67363393) is 6-(2-fluorophenoxy)-5-phenyl-1,2,4-triazin-3-amine.
What is the SMILES notation for 6-(2-fluorophenoxy)-5-phenyl-1,2,4-triazin-3-amine?
The canonical SMILES for 6-(2-fluorophenoxy)-5-phenyl-1,2,4-triazin-3-amine is Nc1nnc(Oc2ccccc2F)c(-c2ccccc2)n1.
What is the InChIKey of 6-(2-fluorophenoxy)-5-phenyl-1,2,4-triazin-3-amine?
The InChIKey is DKSZPFUBXGEFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN4O/c16-11-8-4-5-9-12(11)21-14-13(18-15(17)20-19-14)10-6-2-1-3-7-10/h1-9H,(H2,17,18,20).
What are the key properties of 6-(2-fluorophenoxy)-5-phenyl-1,2,4-triazin-3-amine?
6-(2-fluorophenoxy)-5-phenyl-1,2,4-triazin-3-amine has a molecular weight of 282.28 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluorophenoxy)-5-phenyl-1,2,4-triazin-3-amine is sourced from PubChem (CID 67363393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).