4-N-ethyl-4-N-methyl-2-(trifluoromethyl)-1,2-dihydro-1,3,5-triazine-4,6-diamine

C7H12F3N5 — CID 176522716

IUPAC4-N-ethyl-4-N-methyl-2-(trifluoromethyl)-1,2-dihydro-1,3,5-triazine-4,6-diamine
SMILESCCN(C)C1=NC(C(F)(F)F)NC(N)=N1
InChIInChI=1S/C7H12F3N5/c1-3-15(2)6-13-4(7(8,9)10)12-5(11)14-6/h4H,3H2,1-2H3,(H3,11,12,13,14)
InChIKeyFHXPMQRXAIWIMZ-UHFFFAOYSA-N
MW223.20 g/mol
LogP0.10
Rot. Bonds1

About 4-N-ethyl-4-N-methyl-2-(trifluoromethyl)-1,2-dihydro-1,3,5-triazine-4,6-diamine

4-N-ethyl-4-N-methyl-2-(trifluoromethyl)-1,2-dihydro-1,3,5-triazine-4,6-diamine (PubChem CID 176522716) has the molecular formula C7H12F3N5 and a molecular weight of 223.20 g/mol. Its IUPAC name is 4-N-ethyl-4-N-methyl-2-(trifluoromethyl)-1,2-dihydro-1,3,5-triazine-4,6-diamine.

Molecular Properties

Compound Name4-N-ethyl-4-N-methyl-2-(trifluoromethyl)-1,2-dihydro-1,3,5-triazine-4,6-diamine
PubChem CID176522716
Molecular FormulaC7H12F3N5
Molecular Weight223.20 g/mol
Exact Mass223.10
IUPAC Name4-N-ethyl-4-N-methyl-2-(trifluoromethyl)-1,2-dihydro-1,3,5-triazine-4,6-diamine
SMILESCCN(C)C1=NC(C(F)(F)F)NC(N)=N1
InChIInChI=1S/C7H12F3N5/c1-3-15(2)6-13-4(7(8,9)10)12-5(11)14-6/h4H,3H2,1-2H3,(H3,11,12,13,14)
InChIKeyFHXPMQRXAIWIMZ-UHFFFAOYSA-N
XLogP0.10
TPSA66.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.20
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-4-N-methyl-2-(trifluoromethyl)-1,2-dihydro-1,3,5-triazine-4,6-diamine?
The IUPAC name of 4-N-ethyl-4-N-methyl-2-(trifluoromethyl)-1,2-dihydro-1,3,5-triazine-4,6-diamine (CID 176522716) is 4-N-ethyl-4-N-methyl-2-(trifluoromethyl)-1,2-dihydro-1,3,5-triazine-4,6-diamine.
What is the SMILES notation for 4-N-ethyl-4-N-methyl-2-(trifluoromethyl)-1,2-dihydro-1,3,5-triazine-4,6-diamine?
The canonical SMILES for 4-N-ethyl-4-N-methyl-2-(trifluoromethyl)-1,2-dihydro-1,3,5-triazine-4,6-diamine is CCN(C)C1=NC(C(F)(F)F)NC(N)=N1.
What is the InChIKey of 4-N-ethyl-4-N-methyl-2-(trifluoromethyl)-1,2-dihydro-1,3,5-triazine-4,6-diamine?
The InChIKey is FHXPMQRXAIWIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3N5/c1-3-15(2)6-13-4(7(8,9)10)12-5(11)14-6/h4H,3H2,1-2H3,(H3,11,12,13,14).
What are the key properties of 4-N-ethyl-4-N-methyl-2-(trifluoromethyl)-1,2-dihydro-1,3,5-triazine-4,6-diamine?
4-N-ethyl-4-N-methyl-2-(trifluoromethyl)-1,2-dihydro-1,3,5-triazine-4,6-diamine has a molecular weight of 223.20 g/mol, XLogP of 0.10, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-4-N-methyl-2-(trifluoromethyl)-1,2-dihydro-1,3,5-triazine-4,6-diamine is sourced from PubChem (CID 176522716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).