6-[3-chloro-5-(trifluoromethyl)phenyl]-5-phenyl-1,2,4-triazin-3-amine

C16H10ClF3N4 — CID 53353419

IUPAC6-[3-chloro-5-(trifluoromethyl)phenyl]-5-phenyl-1,2,4-triazin-3-amine
SMILESNc1nnc(-c2cc(Cl)cc(C(F)(F)F)c2)c(-c2ccccc2)n1
InChIInChI=1S/C16H10ClF3N4/c17-12-7-10(6-11(8-12)16(18,19)20)14-13(22-15(21)24-23-14)9-4-2-1-3-5-9/h1-8H,(H2,21,22,24)
InChIKeyVXRABAYEMNYZGD-UHFFFAOYSA-N
MW350.73 g/mol
LogP4.46
Rot. Bonds2

About 6-[3-chloro-5-(trifluoromethyl)phenyl]-5-phenyl-1,2,4-triazin-3-amine

6-[3-chloro-5-(trifluoromethyl)phenyl]-5-phenyl-1,2,4-triazin-3-amine (PubChem CID 53353419) has the molecular formula C16H10ClF3N4 and a molecular weight of 350.73 g/mol. Its IUPAC name is 6-[3-chloro-5-(trifluoromethyl)phenyl]-5-phenyl-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name6-[3-chloro-5-(trifluoromethyl)phenyl]-5-phenyl-1,2,4-triazin-3-amine
PubChem CID53353419
Molecular FormulaC16H10ClF3N4
Molecular Weight350.73 g/mol
Exact Mass350.05
IUPAC Name6-[3-chloro-5-(trifluoromethyl)phenyl]-5-phenyl-1,2,4-triazin-3-amine
SMILESNc1nnc(-c2cc(Cl)cc(C(F)(F)F)c2)c(-c2ccccc2)n1
InChIInChI=1S/C16H10ClF3N4/c17-12-7-10(6-11(8-12)16(18,19)20)14-13(22-15(21)24-23-14)9-4-2-1-3-5-9/h1-8H,(H2,21,22,24)
InChIKeyVXRABAYEMNYZGD-UHFFFAOYSA-N
XLogP4.46
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.73
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[3-chloro-5-(trifluoromethyl)phenyl]-5-phenyl-1,2,4-triazin-3-amine?
The IUPAC name of 6-[3-chloro-5-(trifluoromethyl)phenyl]-5-phenyl-1,2,4-triazin-3-amine (CID 53353419) is 6-[3-chloro-5-(trifluoromethyl)phenyl]-5-phenyl-1,2,4-triazin-3-amine.
What is the SMILES notation for 6-[3-chloro-5-(trifluoromethyl)phenyl]-5-phenyl-1,2,4-triazin-3-amine?
The canonical SMILES for 6-[3-chloro-5-(trifluoromethyl)phenyl]-5-phenyl-1,2,4-triazin-3-amine is Nc1nnc(-c2cc(Cl)cc(C(F)(F)F)c2)c(-c2ccccc2)n1.
What is the InChIKey of 6-[3-chloro-5-(trifluoromethyl)phenyl]-5-phenyl-1,2,4-triazin-3-amine?
The InChIKey is VXRABAYEMNYZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF3N4/c17-12-7-10(6-11(8-12)16(18,19)20)14-13(22-15(21)24-23-14)9-4-2-1-3-5-9/h1-8H,(H2,21,22,24).
What are the key properties of 6-[3-chloro-5-(trifluoromethyl)phenyl]-5-phenyl-1,2,4-triazin-3-amine?
6-[3-chloro-5-(trifluoromethyl)phenyl]-5-phenyl-1,2,4-triazin-3-amine has a molecular weight of 350.73 g/mol, XLogP of 4.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-chloro-5-(trifluoromethyl)phenyl]-5-phenyl-1,2,4-triazin-3-amine is sourced from PubChem (CID 53353419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).