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

C16H12F3N5O — CID 53353519

IUPAC6-[2-methoxy-6-(trifluoromethyl)-4-pyridinyl]-5-phenyl-1,2,4-triazin-3-amine
SMILESCOc1cc(-c2nnc(N)nc2-c2ccccc2)cc(C(F)(F)F)n1
InChIInChI=1S/C16H12F3N5O/c1-25-12-8-10(7-11(21-12)16(17,18)19)14-13(22-15(20)24-23-14)9-5-3-2-4-6-9/h2-8H,1H3,(H2,20,22,24)
InChIKeyPCOBEDUGQWKCHS-UHFFFAOYSA-N
MW347.30 g/mol
LogP3.21
Rot. Bonds3

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

6-[2-methoxy-6-(trifluoromethyl)-4-pyridinyl]-5-phenyl-1,2,4-triazin-3-amine (PubChem CID 53353519) has the molecular formula C16H12F3N5O and a molecular weight of 347.30 g/mol. Its IUPAC name is 6-[2-methoxy-6-(trifluoromethyl)-4-pyridinyl]-5-phenyl-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name6-[2-methoxy-6-(trifluoromethyl)-4-pyridinyl]-5-phenyl-1,2,4-triazin-3-amine
PubChem CID53353519
Molecular FormulaC16H12F3N5O
Molecular Weight347.30 g/mol
Exact Mass347.10
IUPAC Name6-[2-methoxy-6-(trifluoromethyl)-4-pyridinyl]-5-phenyl-1,2,4-triazin-3-amine
SMILESCOc1cc(-c2nnc(N)nc2-c2ccccc2)cc(C(F)(F)F)n1
InChIInChI=1S/C16H12F3N5O/c1-25-12-8-10(7-11(21-12)16(17,18)19)14-13(22-15(20)24-23-14)9-5-3-2-4-6-9/h2-8H,1H3,(H2,20,22,24)
InChIKeyPCOBEDUGQWKCHS-UHFFFAOYSA-N
XLogP3.21
TPSA86.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.30
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[2-methoxy-6-(trifluoromethyl)-4-pyridinyl]-5-phenyl-1,2,4-triazin-3-amine?
The IUPAC name of 6-[2-methoxy-6-(trifluoromethyl)-4-pyridinyl]-5-phenyl-1,2,4-triazin-3-amine (CID 53353519) is 6-[2-methoxy-6-(trifluoromethyl)-4-pyridinyl]-5-phenyl-1,2,4-triazin-3-amine.
What is the SMILES notation for 6-[2-methoxy-6-(trifluoromethyl)-4-pyridinyl]-5-phenyl-1,2,4-triazin-3-amine?
The canonical SMILES for 6-[2-methoxy-6-(trifluoromethyl)-4-pyridinyl]-5-phenyl-1,2,4-triazin-3-amine is COc1cc(-c2nnc(N)nc2-c2ccccc2)cc(C(F)(F)F)n1.
What is the InChIKey of 6-[2-methoxy-6-(trifluoromethyl)-4-pyridinyl]-5-phenyl-1,2,4-triazin-3-amine?
The InChIKey is PCOBEDUGQWKCHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N5O/c1-25-12-8-10(7-11(21-12)16(17,18)19)14-13(22-15(20)24-23-14)9-5-3-2-4-6-9/h2-8H,1H3,(H2,20,22,24).
What are the key properties of 6-[2-methoxy-6-(trifluoromethyl)-4-pyridinyl]-5-phenyl-1,2,4-triazin-3-amine?
6-[2-methoxy-6-(trifluoromethyl)-4-pyridinyl]-5-phenyl-1,2,4-triazin-3-amine has a molecular weight of 347.30 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-methoxy-6-(trifluoromethyl)-4-pyridinyl]-5-phenyl-1,2,4-triazin-3-amine is sourced from PubChem (CID 53353519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).