6-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine

C10H8F3N5 — CID 2782201

IUPAC6-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C10H8F3N5/c11-10(12,13)6-3-1-2-5(4-6)7-16-8(14)18-9(15)17-7/h1-4H,(H4,14,15,16,17,18)
InChIKeyYMIFDDZCSSDQHL-UHFFFAOYSA-N
MW255.20 g/mol
LogP1.72
Rot. Bonds1

About 6-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine

6-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine (PubChem CID 2782201) has the molecular formula C10H8F3N5 and a molecular weight of 255.20 g/mol. Its IUPAC name is 6-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
PubChem CID2782201
Molecular FormulaC10H8F3N5
Molecular Weight255.20 g/mol
Exact Mass255.07
IUPAC Name6-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C10H8F3N5/c11-10(12,13)6-3-1-2-5(4-6)7-16-8(14)18-9(15)17-7/h1-4H,(H4,14,15,16,17,18)
InChIKeyYMIFDDZCSSDQHL-UHFFFAOYSA-N
XLogP1.72
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.20
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine (CID 2782201) is 6-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine is Nc1nc(N)nc(-c2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of 6-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is YMIFDDZCSSDQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N5/c11-10(12,13)6-3-1-2-5(4-6)7-16-8(14)18-9(15)17-7/h1-4H,(H4,14,15,16,17,18).
What are the key properties of 6-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine?
6-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 255.20 g/mol, XLogP of 1.72, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 2782201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).