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

C15H10F2N4 — CID 53354630

IUPAC6-(3,5-difluorophenyl)-5-phenyl-1,2,4-triazin-3-amine
SMILESNc1nnc(-c2cc(F)cc(F)c2)c(-c2ccccc2)n1
InChIInChI=1S/C15H10F2N4/c16-11-6-10(7-12(17)8-11)14-13(19-15(18)21-20-14)9-4-2-1-3-5-9/h1-8H,(H2,18,19,21)
InChIKeyPIBKEMKYQPZZGF-UHFFFAOYSA-N
MW284.27 g/mol
LogP3.07
Rot. Bonds2

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

6-(3,5-difluorophenyl)-5-phenyl-1,2,4-triazin-3-amine (PubChem CID 53354630) has the molecular formula C15H10F2N4 and a molecular weight of 284.27 g/mol. Its IUPAC name is 6-(3,5-difluorophenyl)-5-phenyl-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name6-(3,5-difluorophenyl)-5-phenyl-1,2,4-triazin-3-amine
PubChem CID53354630
Molecular FormulaC15H10F2N4
Molecular Weight284.27 g/mol
Exact Mass284.09
IUPAC Name6-(3,5-difluorophenyl)-5-phenyl-1,2,4-triazin-3-amine
SMILESNc1nnc(-c2cc(F)cc(F)c2)c(-c2ccccc2)n1
InChIInChI=1S/C15H10F2N4/c16-11-6-10(7-12(17)8-11)14-13(19-15(18)21-20-14)9-4-2-1-3-5-9/h1-8H,(H2,18,19,21)
InChIKeyPIBKEMKYQPZZGF-UHFFFAOYSA-N
XLogP3.07
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-difluorophenyl)-5-phenyl-1,2,4-triazin-3-amine?
The IUPAC name of 6-(3,5-difluorophenyl)-5-phenyl-1,2,4-triazin-3-amine (CID 53354630) is 6-(3,5-difluorophenyl)-5-phenyl-1,2,4-triazin-3-amine.
What is the SMILES notation for 6-(3,5-difluorophenyl)-5-phenyl-1,2,4-triazin-3-amine?
The canonical SMILES for 6-(3,5-difluorophenyl)-5-phenyl-1,2,4-triazin-3-amine is Nc1nnc(-c2cc(F)cc(F)c2)c(-c2ccccc2)n1.
What is the InChIKey of 6-(3,5-difluorophenyl)-5-phenyl-1,2,4-triazin-3-amine?
The InChIKey is PIBKEMKYQPZZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N4/c16-11-6-10(7-12(17)8-11)14-13(19-15(18)21-20-14)9-4-2-1-3-5-9/h1-8H,(H2,18,19,21).
What are the key properties of 6-(3,5-difluorophenyl)-5-phenyl-1,2,4-triazin-3-amine?
6-(3,5-difluorophenyl)-5-phenyl-1,2,4-triazin-3-amine has a molecular weight of 284.27 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-difluorophenyl)-5-phenyl-1,2,4-triazin-3-amine is sourced from PubChem (CID 53354630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).