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

C15H16F3N5 — CID 53353230

IUPAC5-phenyl-6-[3-(trifluoromethyl)piperidin-1-yl]-1,2,4-triazin-3-amine
SMILESNc1nnc(N2CCCC(C(F)(F)F)C2)c(-c2ccccc2)n1
InChIInChI=1S/C15H16F3N5/c16-15(17,18)11-7-4-8-23(9-11)13-12(20-14(19)22-21-13)10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H2,19,20,22)
InChIKeyIYQQCTRBWVMSML-UHFFFAOYSA-N
MW323.32 g/mol
LogP2.90
Rot. Bonds2

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

5-phenyl-6-[3-(trifluoromethyl)piperidin-1-yl]-1,2,4-triazin-3-amine (PubChem CID 53353230) has the molecular formula C15H16F3N5 and a molecular weight of 323.32 g/mol. Its IUPAC name is 5-phenyl-6-[3-(trifluoromethyl)piperidin-1-yl]-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5-phenyl-6-[3-(trifluoromethyl)piperidin-1-yl]-1,2,4-triazin-3-amine
PubChem CID53353230
Molecular FormulaC15H16F3N5
Molecular Weight323.32 g/mol
Exact Mass323.14
IUPAC Name5-phenyl-6-[3-(trifluoromethyl)piperidin-1-yl]-1,2,4-triazin-3-amine
SMILESNc1nnc(N2CCCC(C(F)(F)F)C2)c(-c2ccccc2)n1
InChIInChI=1S/C15H16F3N5/c16-15(17,18)11-7-4-8-23(9-11)13-12(20-14(19)22-21-13)10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H2,19,20,22)
InChIKeyIYQQCTRBWVMSML-UHFFFAOYSA-N
XLogP2.90
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.32
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-6-[3-(trifluoromethyl)piperidin-1-yl]-1,2,4-triazin-3-amine?
The IUPAC name of 5-phenyl-6-[3-(trifluoromethyl)piperidin-1-yl]-1,2,4-triazin-3-amine (CID 53353230) is 5-phenyl-6-[3-(trifluoromethyl)piperidin-1-yl]-1,2,4-triazin-3-amine.
What is the SMILES notation for 5-phenyl-6-[3-(trifluoromethyl)piperidin-1-yl]-1,2,4-triazin-3-amine?
The canonical SMILES for 5-phenyl-6-[3-(trifluoromethyl)piperidin-1-yl]-1,2,4-triazin-3-amine is Nc1nnc(N2CCCC(C(F)(F)F)C2)c(-c2ccccc2)n1.
What is the InChIKey of 5-phenyl-6-[3-(trifluoromethyl)piperidin-1-yl]-1,2,4-triazin-3-amine?
The InChIKey is IYQQCTRBWVMSML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N5/c16-15(17,18)11-7-4-8-23(9-11)13-12(20-14(19)22-21-13)10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H2,19,20,22).
What are the key properties of 5-phenyl-6-[3-(trifluoromethyl)piperidin-1-yl]-1,2,4-triazin-3-amine?
5-phenyl-6-[3-(trifluoromethyl)piperidin-1-yl]-1,2,4-triazin-3-amine has a molecular weight of 323.32 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-6-[3-(trifluoromethyl)piperidin-1-yl]-1,2,4-triazin-3-amine is sourced from PubChem (CID 53353230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).