2-N,2-N,6-N-triethyl-4-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2,4,6-triamine

C17H23F3N6 — CID 117090343

IUPAC2-N,2-N,6-N-triethyl-4-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2,4,6-triamine
SMILESCCNc1nc(NCc2cccc(C(F)(F)F)c2)nc(N(CC)CC)n1
InChIInChI=1S/C17H23F3N6/c1-4-21-14-23-15(25-16(24-14)26(5-2)6-3)22-11-12-8-7-9-13(10-12)17(18,19)20/h7-10H,4-6,11H2,1-3H3,(H2,21,22,23,24,25)
InChIKeyMUNHOXLLSFYBGY-UHFFFAOYSA-N
MW368.41 g/mol
LogP3.78
Rot. Bonds8

About 2-N,2-N,6-N-triethyl-4-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2,4,6-triamine

2-N,2-N,6-N-triethyl-4-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2,4,6-triamine (PubChem CID 117090343) has the molecular formula C17H23F3N6 and a molecular weight of 368.41 g/mol. Its IUPAC name is 2-N,2-N,6-N-triethyl-4-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,2-N,6-N-triethyl-4-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2,4,6-triamine
PubChem CID117090343
Molecular FormulaC17H23F3N6
Molecular Weight368.41 g/mol
Exact Mass368.19
IUPAC Name2-N,2-N,6-N-triethyl-4-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2,4,6-triamine
SMILESCCNc1nc(NCc2cccc(C(F)(F)F)c2)nc(N(CC)CC)n1
InChIInChI=1S/C17H23F3N6/c1-4-21-14-23-15(25-16(24-14)26(5-2)6-3)22-11-12-8-7-9-13(10-12)17(18,19)20/h7-10H,4-6,11H2,1-3H3,(H2,21,22,23,24,25)
InChIKeyMUNHOXLLSFYBGY-UHFFFAOYSA-N
XLogP3.78
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.78
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,6-N-triethyl-4-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,2-N,6-N-triethyl-4-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2,4,6-triamine (CID 117090343) is 2-N,2-N,6-N-triethyl-4-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,2-N,6-N-triethyl-4-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,2-N,6-N-triethyl-4-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2,4,6-triamine is CCNc1nc(NCc2cccc(C(F)(F)F)c2)nc(N(CC)CC)n1.
What is the InChIKey of 2-N,2-N,6-N-triethyl-4-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2,4,6-triamine?
The InChIKey is MUNHOXLLSFYBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N6/c1-4-21-14-23-15(25-16(24-14)26(5-2)6-3)22-11-12-8-7-9-13(10-12)17(18,19)20/h7-10H,4-6,11H2,1-3H3,(H2,21,22,23,24,25).
What are the key properties of 2-N,2-N,6-N-triethyl-4-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2,4,6-triamine?
2-N,2-N,6-N-triethyl-4-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2,4,6-triamine has a molecular weight of 368.41 g/mol, XLogP of 3.78, 8 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-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 117090343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).