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

C9H14F3N5 — CID 139724197

IUPAC2-N,2-N-diethyl-6-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(N)nc(CC(F)(F)F)n1
InChIInChI=1S/C9H14F3N5/c1-3-17(4-2)8-15-6(5-9(10,11)12)14-7(13)16-8/h3-5H2,1-2H3,(H2,13,14,15,16)
InChIKeyZRNGOGPZKQGHLH-UHFFFAOYSA-N
MW249.24 g/mol
LogP1.40
Rot. Bonds4

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

2-N,2-N-diethyl-6-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 139724197) has the molecular formula C9H14F3N5 and a molecular weight of 249.24 g/mol. Its IUPAC name is 2-N,2-N-diethyl-6-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N-diethyl-6-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
PubChem CID139724197
Molecular FormulaC9H14F3N5
Molecular Weight249.24 g/mol
Exact Mass249.12
IUPAC Name2-N,2-N-diethyl-6-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(N)nc(CC(F)(F)F)n1
InChIInChI=1S/C9H14F3N5/c1-3-17(4-2)8-15-6(5-9(10,11)12)14-7(13)16-8/h3-5H2,1-2H3,(H2,13,14,15,16)
InChIKeyZRNGOGPZKQGHLH-UHFFFAOYSA-N
XLogP1.40
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-diethyl-6-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,2-N-diethyl-6-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine (CID 139724197) is 2-N,2-N-diethyl-6-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,2-N-diethyl-6-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,2-N-diethyl-6-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine is CCN(CC)c1nc(N)nc(CC(F)(F)F)n1.
What is the InChIKey of 2-N,2-N-diethyl-6-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is ZRNGOGPZKQGHLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N5/c1-3-17(4-2)8-15-6(5-9(10,11)12)14-7(13)16-8/h3-5H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 2-N,2-N-diethyl-6-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine?
2-N,2-N-diethyl-6-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 249.24 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-diethyl-6-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 139724197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).