6-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine

C5H6F3N5 — CID 14512633

IUPAC6-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(CC(F)(F)F)n1
InChIInChI=1S/C5H6F3N5/c6-5(7,8)1-2-11-3(9)13-4(10)12-2/h1H2,(H4,9,10,11,12,13)
InChIKeyJEPSQXLKFRHTDS-UHFFFAOYSA-N
MW193.13 g/mol
LogP0.14
Rot. Bonds1

About 6-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine

6-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 14512633) has the molecular formula C5H6F3N5 and a molecular weight of 193.13 g/mol. Its IUPAC name is 6-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
PubChem CID14512633
Molecular FormulaC5H6F3N5
Molecular Weight193.13 g/mol
Exact Mass193.06
IUPAC Name6-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(CC(F)(F)F)n1
InChIInChI=1S/C5H6F3N5/c6-5(7,8)1-2-11-3(9)13-4(10)12-2/h1H2,(H4,9,10,11,12,13)
InChIKeyJEPSQXLKFRHTDS-UHFFFAOYSA-N
XLogP0.14
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.13
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine (CID 14512633) is 6-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine is Nc1nc(N)nc(CC(F)(F)F)n1.
What is the InChIKey of 6-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is JEPSQXLKFRHTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3N5/c6-5(7,8)1-2-11-3(9)13-4(10)12-2/h1H2,(H4,9,10,11,12,13).
What are the key properties of 6-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine?
6-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 193.13 g/mol, XLogP of 0.14, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 14512633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).