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

C9H13F3N4O — CID 123308053

IUPACN,4-diethyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
SMILESCCNc1nc(CC)nc(OCC(F)(F)F)n1
InChIInChI=1S/C9H13F3N4O/c1-3-6-14-7(13-4-2)16-8(15-6)17-5-9(10,11)12/h3-5H2,1-2H3,(H,13,14,15,16)
InChIKeyCTMMZVZTTDWMSS-UHFFFAOYSA-N
MW250.22 g/mol
LogP1.81
Rot. Bonds5

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

N,4-diethyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine (PubChem CID 123308053) has the molecular formula C9H13F3N4O and a molecular weight of 250.22 g/mol. Its IUPAC name is N,4-diethyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN,4-diethyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
PubChem CID123308053
Molecular FormulaC9H13F3N4O
Molecular Weight250.22 g/mol
Exact Mass250.10
IUPAC NameN,4-diethyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
SMILESCCNc1nc(CC)nc(OCC(F)(F)F)n1
InChIInChI=1S/C9H13F3N4O/c1-3-6-14-7(13-4-2)16-8(15-6)17-5-9(10,11)12/h3-5H2,1-2H3,(H,13,14,15,16)
InChIKeyCTMMZVZTTDWMSS-UHFFFAOYSA-N
XLogP1.81
TPSA59.93 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 ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N,4-diethyl-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

Related Compounds

N-propyl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
CID 2267441
4-Ethoxy-N-ethyl-6-methyl-1,3,5-triazin-2-amine
CID 21311
1,3,5-Triazin-2-amine, 4-butoxy-N-ethyl-6-methyl-
CID 21312
N,4-Diethyl-6-methoxy-1,3,5-triazin-2-amine
CID 21313
4-Ethoxy-N,6-diethyl-1,3,5-triazin-2-amine
CID 23295
1,3,5-Triazin-2-amine, 4-ethyl-6-methoxy-N-(1-methylethyl)-
CID 199904
1,3,5-Triazin-2-amine, N-ethyl-4-methoxy-6-propyl-
CID 199905
4-Ethoxy-6-ethyl-N-methyl-1,3,5-triazin-2-amine
CID 201842
1,3,5-Triazin-2-amine, 4-methoxy-N-methyl-6-propyl-
CID 199909
1,3,5-Triazin-2-amine, 4-ethoxy-6-ethyl-N-(1-methylethyl)-
CID 199910
1,3,5-Triazin-2-amine, N,4-diethyl-6-(1-methylethoxy)-
CID 3044741
2-Amino-4-(butylamino)-6-(trifluoromethyl)-1,3,5-triazine
CID 606072

Frequently Asked Questions

What is the IUPAC name of N,4-diethyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine?
The IUPAC name of N,4-diethyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine (CID 123308053) is N,4-diethyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine.
What is the SMILES notation for N,4-diethyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine?
The canonical SMILES for N,4-diethyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine is CCNc1nc(CC)nc(OCC(F)(F)F)n1.
What is the InChIKey of N,4-diethyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine?
The InChIKey is CTMMZVZTTDWMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4O/c1-3-6-14-7(13-4-2)16-8(15-6)17-5-9(10,11)12/h3-5H2,1-2H3,(H,13,14,15,16).
What are the key properties of N,4-diethyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine?
N,4-diethyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine has a molecular weight of 250.22 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-diethyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine is sourced from PubChem (CID 123308053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).