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

C11H19F3N6 — CID 80777726

IUPAC2-N,2-N,6-N-triethyl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4,6-triamine
SMILESCCNc1nc(NCC(F)(F)F)nc(N(CC)CC)n1
InChIInChI=1S/C11H19F3N6/c1-4-15-8-17-9(16-7-11(12,13)14)19-10(18-8)20(5-2)6-3/h4-7H2,1-3H3,(H2,15,16,17,18,19)
InChIKeyPPDJBXXAOULXEI-UHFFFAOYSA-N
MW292.31 g/mol
LogP2.12
Rot. Bonds7

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

2-N,2-N,6-N-triethyl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 80777726) has the molecular formula C11H19F3N6 and a molecular weight of 292.31 g/mol. Its IUPAC name is 2-N,2-N,6-N-triethyl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,2-N,6-N-triethyl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4,6-triamine
PubChem CID80777726
Molecular FormulaC11H19F3N6
Molecular Weight292.31 g/mol
Exact Mass292.16
IUPAC Name2-N,2-N,6-N-triethyl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4,6-triamine
SMILESCCNc1nc(NCC(F)(F)F)nc(N(CC)CC)n1
InChIInChI=1S/C11H19F3N6/c1-4-15-8-17-9(16-7-11(12,13)14)19-10(18-8)20(5-2)6-3/h4-7H2,1-3H3,(H2,15,16,17,18,19)
InChIKeyPPDJBXXAOULXEI-UHFFFAOYSA-N
XLogP2.12
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-N,2-N,6-N-triethyl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4,6-triamine with MolForge

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Related Compounds

Trietazine
CID 15951
N2,N4,N6-Tripropyl-1,3,5-triazine-2,4,6-triamine
CID 11368773
1,3,5-Triazine-2,4-diamine, N,N,N'-triethyl-6-methoxy-
CID 26094
Triethylmelamine
CID 27778
Melamine, N(sup 2)-methyl-N(sup 4),N(sup 4),N(sup 6),N(sup 6)-tetraethyl-
CID 47749
AG-F-96600
CID 21818
s-Triazine, 2,4-bis(diethylamino)-6-fluoro-
CID 15334
2-N,4-N,6-N-tris(2,2-difluoroethyl)-1,3,5-triazine-2,4,6-triamine
CID 132607734
2-N,4-N,6-N-tris(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4,6-triamine
CID 10384630
4-N-ethyl-6-fluoro-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
CID 13063
6-fluoro-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine
CID 34926
Trietazine-D5
CID 124202594

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,6-N-triethyl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,2-N,6-N-triethyl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4,6-triamine (CID 80777726) is 2-N,2-N,6-N-triethyl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,2-N,6-N-triethyl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,2-N,6-N-triethyl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4,6-triamine is CCNc1nc(NCC(F)(F)F)nc(N(CC)CC)n1.
What is the InChIKey of 2-N,2-N,6-N-triethyl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is PPDJBXXAOULXEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N6/c1-4-15-8-17-9(16-7-11(12,13)14)19-10(18-8)20(5-2)6-3/h4-7H2,1-3H3,(H2,15,16,17,18,19).
What are the key properties of 2-N,2-N,6-N-triethyl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4,6-triamine?
2-N,2-N,6-N-triethyl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 292.31 g/mol, XLogP of 2.12, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,6-N-triethyl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 80777726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).