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

C9H15F3N6 — CID 80777813

IUPAC2-N,2-N-diethyl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4,6-triamine
SMILESCCN(CC)c1nc(N)nc(NCC(F)(F)F)n1
InChIInChI=1S/C9H15F3N6/c1-3-18(4-2)8-16-6(13)15-7(17-8)14-5-9(10,11)12/h3-5H2,1-2H3,(H3,13,14,15,16,17)
InChIKeyKDGWDTGPKYCRKS-UHFFFAOYSA-N
MW264.25 g/mol
LogP1.27
Rot. Bonds5

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

2-N,2-N-diethyl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 80777813) has the molecular formula C9H15F3N6 and a molecular weight of 264.25 g/mol. Its IUPAC name is 2-N,2-N-diethyl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,2-N-diethyl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4,6-triamine
PubChem CID80777813
Molecular FormulaC9H15F3N6
Molecular Weight264.25 g/mol
Exact Mass264.13
IUPAC Name2-N,2-N-diethyl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4,6-triamine
SMILESCCN(CC)c1nc(N)nc(NCC(F)(F)F)n1
InChIInChI=1S/C9H15F3N6/c1-3-18(4-2)8-16-6(13)15-7(17-8)14-5-9(10,11)12/h3-5H2,1-2H3,(H3,13,14,15,16,17)
InChIKeyKDGWDTGPKYCRKS-UHFFFAOYSA-N
XLogP1.27
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-diethyl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,2-N-diethyl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4,6-triamine (CID 80777813) is 2-N,2-N-diethyl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,2-N-diethyl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,2-N-diethyl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4,6-triamine is CCN(CC)c1nc(N)nc(NCC(F)(F)F)n1.
What is the InChIKey of 2-N,2-N-diethyl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is KDGWDTGPKYCRKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N6/c1-3-18(4-2)8-16-6(13)15-7(17-8)14-5-9(10,11)12/h3-5H2,1-2H3,(H3,13,14,15,16,17).
What are the key properties of 2-N,2-N-diethyl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4,6-triamine?
2-N,2-N-diethyl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 264.25 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-diethyl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 80777813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).