N-ethyl-4-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine

C8H11F3N4O — CID 123689010

IUPACN-ethyl-4-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
SMILESCCNc1nc(C)nc(OCC(F)(F)F)n1
InChIInChI=1S/C8H11F3N4O/c1-3-12-6-13-5(2)14-7(15-6)16-4-8(9,10)11/h3-4H2,1-2H3,(H,12,13,14,15)
InChIKeyMQGDNBSSTCLQOS-UHFFFAOYSA-N
MW236.20 g/mol
LogP1.55
Rot. Bonds4

About N-ethyl-4-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine

N-ethyl-4-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine (PubChem CID 123689010) has the molecular formula C8H11F3N4O and a molecular weight of 236.20 g/mol. Its IUPAC name is N-ethyl-4-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
PubChem CID123689010
Molecular FormulaC8H11F3N4O
Molecular Weight236.20 g/mol
Exact Mass236.09
IUPAC NameN-ethyl-4-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
SMILESCCNc1nc(C)nc(OCC(F)(F)F)n1
InChIInChI=1S/C8H11F3N4O/c1-3-12-6-13-5(2)14-7(15-6)16-4-8(9,10)11/h3-4H2,1-2H3,(H,12,13,14,15)
InChIKeyMQGDNBSSTCLQOS-UHFFFAOYSA-N
XLogP1.55
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.20
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-ethyl-4-methyl-6-(2,2,2-trifluoroethoxy)-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 N-ethyl-4-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine?
The IUPAC name of N-ethyl-4-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine (CID 123689010) is N-ethyl-4-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine.
What is the SMILES notation for N-ethyl-4-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine?
The canonical SMILES for N-ethyl-4-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine is CCNc1nc(C)nc(OCC(F)(F)F)n1.
What is the InChIKey of N-ethyl-4-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine?
The InChIKey is MQGDNBSSTCLQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4O/c1-3-12-6-13-5(2)14-7(15-6)16-4-8(9,10)11/h3-4H2,1-2H3,(H,12,13,14,15).
What are the key properties of N-ethyl-4-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine?
N-ethyl-4-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine has a molecular weight of 236.20 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine is sourced from PubChem (CID 123689010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).