2-[(5,6-diethyl-1,2,4-triazin-3-yl)-(2,2,2-trifluoroethyl)amino]ethanol

C11H17F3N4O — CID 107484546

IUPAC2-[(5,6-diethyl-1,2,4-triazin-3-yl)-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCCc1nnc(N(CCO)CC(F)(F)F)nc1CC
InChIInChI=1S/C11H17F3N4O/c1-3-8-9(4-2)16-17-10(15-8)18(5-6-19)7-11(12,13)14/h19H,3-7H2,1-2H3
InChIKeyAIOTVCOTBFLLDB-UHFFFAOYSA-N
MW278.28 g/mol
LogP1.36
Rot. Bonds6

About 2-[(5,6-diethyl-1,2,4-triazin-3-yl)-(2,2,2-trifluoroethyl)amino]ethanol

2-[(5,6-diethyl-1,2,4-triazin-3-yl)-(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 107484546) has the molecular formula C11H17F3N4O and a molecular weight of 278.28 g/mol. Its IUPAC name is 2-[(5,6-diethyl-1,2,4-triazin-3-yl)-(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(5,6-diethyl-1,2,4-triazin-3-yl)-(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID107484546
Molecular FormulaC11H17F3N4O
Molecular Weight278.28 g/mol
Exact Mass278.14
IUPAC Name2-[(5,6-diethyl-1,2,4-triazin-3-yl)-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCCc1nnc(N(CCO)CC(F)(F)F)nc1CC
InChIInChI=1S/C11H17F3N4O/c1-3-8-9(4-2)16-17-10(15-8)18(5-6-19)7-11(12,13)14/h19H,3-7H2,1-2H3
InChIKeyAIOTVCOTBFLLDB-UHFFFAOYSA-N
XLogP1.36
TPSA62.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(5,6-diethyl-1,2,4-triazin-3-yl)-(2,2,2-trifluoroethyl)amino]ethanol with MolForge

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Related Compounds

2-[(5,6-dimethyl-1,2,4-triazin-3-yl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107484584
2-[(3-ethyl-1,2,4-thiadiazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107484410
2-[(3-ethyl-1-methyl-4-nitropyrazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107484493
2-[(3,6-dichloro-1,2,4-triazin-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107482177
N-(3-bromopropyl)-N,5,6-triethyl-1,2,4-triazin-3-amine
CID 105363457
N-(2-bromoethyl)-5,6-dimethyl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-3-amine
CID 107490296
2-[2,2,2-trifluoroethyl-[6-(trifluoromethyl)pyridazin-3-yl]amino]ethanol
CID 107484538
2-[(1-ethylimidazol-2-yl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107484406
2-[(3-methylpyrazin-2-yl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107484362
2-[[5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 107481530
4,6-dichloro-N-propyl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
CID 55124566
2-[(6-amino-2-methylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107495365

Frequently Asked Questions

What is the IUPAC name of 2-[(5,6-diethyl-1,2,4-triazin-3-yl)-(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[(5,6-diethyl-1,2,4-triazin-3-yl)-(2,2,2-trifluoroethyl)amino]ethanol (CID 107484546) is 2-[(5,6-diethyl-1,2,4-triazin-3-yl)-(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[(5,6-diethyl-1,2,4-triazin-3-yl)-(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[(5,6-diethyl-1,2,4-triazin-3-yl)-(2,2,2-trifluoroethyl)amino]ethanol is CCc1nnc(N(CCO)CC(F)(F)F)nc1CC.
What is the InChIKey of 2-[(5,6-diethyl-1,2,4-triazin-3-yl)-(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is AIOTVCOTBFLLDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4O/c1-3-8-9(4-2)16-17-10(15-8)18(5-6-19)7-11(12,13)14/h19H,3-7H2,1-2H3.
What are the key properties of 2-[(5,6-diethyl-1,2,4-triazin-3-yl)-(2,2,2-trifluoroethyl)amino]ethanol?
2-[(5,6-diethyl-1,2,4-triazin-3-yl)-(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 278.28 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,6-diethyl-1,2,4-triazin-3-yl)-(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 107484546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).