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

C12H21F3N6 — CID 80775730

IUPAC2-N,2-N,6-N-triethyl-4-N-methyl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4,6-triamine
SMILESCCNc1nc(N(C)CC(F)(F)F)nc(N(CC)CC)n1
InChIInChI=1S/C12H21F3N6/c1-5-16-9-17-10(20(4)8-12(13,14)15)19-11(18-9)21(6-2)7-3/h5-8H2,1-4H3,(H,16,17,18,19)
InChIKeyPLVBOVIEQYQCHF-UHFFFAOYSA-N
MW306.34 g/mol
LogP2.15
Rot. Bonds7

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

2-N,2-N,6-N-triethyl-4-N-methyl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 80775730) has the molecular formula C12H21F3N6 and a molecular weight of 306.34 g/mol. Its IUPAC name is 2-N,2-N,6-N-triethyl-4-N-methyl-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-methyl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4,6-triamine
PubChem CID80775730
Molecular FormulaC12H21F3N6
Molecular Weight306.34 g/mol
Exact Mass306.18
IUPAC Name2-N,2-N,6-N-triethyl-4-N-methyl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4,6-triamine
SMILESCCNc1nc(N(C)CC(F)(F)F)nc(N(CC)CC)n1
InChIInChI=1S/C12H21F3N6/c1-5-16-9-17-10(20(4)8-12(13,14)15)19-11(18-9)21(6-2)7-3/h5-8H2,1-4H3,(H,16,17,18,19)
InChIKeyPLVBOVIEQYQCHF-UHFFFAOYSA-N
XLogP2.15
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,6-N-triethyl-4-N-methyl-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-methyl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4,6-triamine (CID 80775730) is 2-N,2-N,6-N-triethyl-4-N-methyl-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-methyl-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-methyl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4,6-triamine is CCNc1nc(N(C)CC(F)(F)F)nc(N(CC)CC)n1.
What is the InChIKey of 2-N,2-N,6-N-triethyl-4-N-methyl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is PLVBOVIEQYQCHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N6/c1-5-16-9-17-10(20(4)8-12(13,14)15)19-11(18-9)21(6-2)7-3/h5-8H2,1-4H3,(H,16,17,18,19).
What are the key properties of 2-N,2-N,6-N-triethyl-4-N-methyl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4,6-triamine?
2-N,2-N,6-N-triethyl-4-N-methyl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 306.34 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 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-methyl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 80775730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).