4-ethyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine

C9H13F3N4O — CID 103151155

IUPAC4-ethyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine
SMILESCCc1nc(N)nc(CCOCC(F)(F)F)n1
InChIInChI=1S/C9H13F3N4O/c1-2-6-14-7(16-8(13)15-6)3-4-17-5-9(10,11)12/h2-5H2,1H3,(H2,13,14,15,16)
InChIKeyCDGCFBNVNVZGHS-UHFFFAOYSA-N
MW250.22 g/mol
LogP1.14
Rot. Bonds5

About 4-ethyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine

4-ethyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine (PubChem CID 103151155) has the molecular formula C9H13F3N4O and a molecular weight of 250.22 g/mol. Its IUPAC name is 4-ethyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-ethyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine
PubChem CID103151155
Molecular FormulaC9H13F3N4O
Molecular Weight250.22 g/mol
Exact Mass250.10
IUPAC Name4-ethyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine
SMILESCCc1nc(N)nc(CCOCC(F)(F)F)n1
InChIInChI=1S/C9H13F3N4O/c1-2-6-14-7(16-8(13)15-6)3-4-17-5-9(10,11)12/h2-5H2,1H3,(H2,13,14,15,16)
InChIKeyCDGCFBNVNVZGHS-UHFFFAOYSA-N
XLogP1.14
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.22
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-ethyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-ethyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine (CID 103151155) is 4-ethyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-ethyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-ethyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine is CCc1nc(N)nc(CCOCC(F)(F)F)n1.
What is the InChIKey of 4-ethyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine?
The InChIKey is CDGCFBNVNVZGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4O/c1-2-6-14-7(16-8(13)15-6)3-4-17-5-9(10,11)12/h2-5H2,1H3,(H2,13,14,15,16).
What are the key properties of 4-ethyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine?
4-ethyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine has a molecular weight of 250.22 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 103151155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).