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

C16H9F6N5 — CID 71716516

IUPAC6-[2,6-bis(trifluoromethyl)-4-pyridinyl]-5-phenyl-1,2,4-triazin-3-amine
SMILESNc1nnc(-c2cc(C(F)(F)F)nc(C(F)(F)F)c2)c(-c2ccccc2)n1
InChIInChI=1S/C16H9F6N5/c17-15(18,19)10-6-9(7-11(24-10)16(20,21)22)13-12(25-14(23)27-26-13)8-4-2-1-3-5-8/h1-7H,(H2,23,25,27)
InChIKeyJBAMUNDBESEFNY-UHFFFAOYSA-N
MW385.27 g/mol
LogP4.22
Rot. Bonds2

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

6-[2,6-bis(trifluoromethyl)-4-pyridinyl]-5-phenyl-1,2,4-triazin-3-amine (PubChem CID 71716516) has the molecular formula C16H9F6N5 and a molecular weight of 385.27 g/mol. Its IUPAC name is 6-[2,6-bis(trifluoromethyl)-4-pyridinyl]-5-phenyl-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name6-[2,6-bis(trifluoromethyl)-4-pyridinyl]-5-phenyl-1,2,4-triazin-3-amine
PubChem CID71716516
Molecular FormulaC16H9F6N5
Molecular Weight385.27 g/mol
Exact Mass385.08
IUPAC Name6-[2,6-bis(trifluoromethyl)-4-pyridinyl]-5-phenyl-1,2,4-triazin-3-amine
SMILESNc1nnc(-c2cc(C(F)(F)F)nc(C(F)(F)F)c2)c(-c2ccccc2)n1
InChIInChI=1S/C16H9F6N5/c17-15(18,19)10-6-9(7-11(24-10)16(20,21)22)13-12(25-14(23)27-26-13)8-4-2-1-3-5-8/h1-7H,(H2,23,25,27)
InChIKeyJBAMUNDBESEFNY-UHFFFAOYSA-N
XLogP4.22
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.27
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2,6-bis(trifluoromethyl)-4-pyridinyl]-5-phenyl-1,2,4-triazin-3-amine?
The IUPAC name of 6-[2,6-bis(trifluoromethyl)-4-pyridinyl]-5-phenyl-1,2,4-triazin-3-amine (CID 71716516) is 6-[2,6-bis(trifluoromethyl)-4-pyridinyl]-5-phenyl-1,2,4-triazin-3-amine.
What is the SMILES notation for 6-[2,6-bis(trifluoromethyl)-4-pyridinyl]-5-phenyl-1,2,4-triazin-3-amine?
The canonical SMILES for 6-[2,6-bis(trifluoromethyl)-4-pyridinyl]-5-phenyl-1,2,4-triazin-3-amine is Nc1nnc(-c2cc(C(F)(F)F)nc(C(F)(F)F)c2)c(-c2ccccc2)n1.
What is the InChIKey of 6-[2,6-bis(trifluoromethyl)-4-pyridinyl]-5-phenyl-1,2,4-triazin-3-amine?
The InChIKey is JBAMUNDBESEFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F6N5/c17-15(18,19)10-6-9(7-11(24-10)16(20,21)22)13-12(25-14(23)27-26-13)8-4-2-1-3-5-8/h1-7H,(H2,23,25,27).
What are the key properties of 6-[2,6-bis(trifluoromethyl)-4-pyridinyl]-5-phenyl-1,2,4-triazin-3-amine?
6-[2,6-bis(trifluoromethyl)-4-pyridinyl]-5-phenyl-1,2,4-triazin-3-amine has a molecular weight of 385.27 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2,6-bis(trifluoromethyl)-4-pyridinyl]-5-phenyl-1,2,4-triazin-3-amine is sourced from PubChem (CID 71716516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).