4-(2-fluorophenyl)-N-[5-(trifluoromethyl)-3-pyridinyl]-1,3,5-triazin-2-amine

C15H9F4N5 — CID 151488630

IUPAC4-(2-fluorophenyl)-N-[5-(trifluoromethyl)-3-pyridinyl]-1,3,5-triazin-2-amine
SMILESFc1ccccc1-c1ncnc(Nc2cncc(C(F)(F)F)c2)n1
InChIInChI=1S/C15H9F4N5/c16-12-4-2-1-3-11(12)13-21-8-22-14(24-13)23-10-5-9(6-20-7-10)15(17,18)19/h1-8H,(H,21,22,23,24)
InChIKeyPNZHXQDFIICKBY-UHFFFAOYSA-N
MW335.26 g/mol
LogP3.84
Rot. Bonds3

About 4-(2-fluorophenyl)-N-[5-(trifluoromethyl)-3-pyridinyl]-1,3,5-triazin-2-amine

4-(2-fluorophenyl)-N-[5-(trifluoromethyl)-3-pyridinyl]-1,3,5-triazin-2-amine (PubChem CID 151488630) has the molecular formula C15H9F4N5 and a molecular weight of 335.26 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-N-[5-(trifluoromethyl)-3-pyridinyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(2-fluorophenyl)-N-[5-(trifluoromethyl)-3-pyridinyl]-1,3,5-triazin-2-amine
PubChem CID151488630
Molecular FormulaC15H9F4N5
Molecular Weight335.26 g/mol
Exact Mass335.08
IUPAC Name4-(2-fluorophenyl)-N-[5-(trifluoromethyl)-3-pyridinyl]-1,3,5-triazin-2-amine
SMILESFc1ccccc1-c1ncnc(Nc2cncc(C(F)(F)F)c2)n1
InChIInChI=1S/C15H9F4N5/c16-12-4-2-1-3-11(12)13-21-8-22-14(24-13)23-10-5-9(6-20-7-10)15(17,18)19/h1-8H,(H,21,22,23,24)
InChIKeyPNZHXQDFIICKBY-UHFFFAOYSA-N
XLogP3.84
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.26
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-N-[5-(trifluoromethyl)-3-pyridinyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-(2-fluorophenyl)-N-[5-(trifluoromethyl)-3-pyridinyl]-1,3,5-triazin-2-amine (CID 151488630) is 4-(2-fluorophenyl)-N-[5-(trifluoromethyl)-3-pyridinyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(2-fluorophenyl)-N-[5-(trifluoromethyl)-3-pyridinyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(2-fluorophenyl)-N-[5-(trifluoromethyl)-3-pyridinyl]-1,3,5-triazin-2-amine is Fc1ccccc1-c1ncnc(Nc2cncc(C(F)(F)F)c2)n1.
What is the InChIKey of 4-(2-fluorophenyl)-N-[5-(trifluoromethyl)-3-pyridinyl]-1,3,5-triazin-2-amine?
The InChIKey is PNZHXQDFIICKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F4N5/c16-12-4-2-1-3-11(12)13-21-8-22-14(24-13)23-10-5-9(6-20-7-10)15(17,18)19/h1-8H,(H,21,22,23,24).
What are the key properties of 4-(2-fluorophenyl)-N-[5-(trifluoromethyl)-3-pyridinyl]-1,3,5-triazin-2-amine?
4-(2-fluorophenyl)-N-[5-(trifluoromethyl)-3-pyridinyl]-1,3,5-triazin-2-amine has a molecular weight of 335.26 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-N-[5-(trifluoromethyl)-3-pyridinyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 151488630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).