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

C7H7Cl2F3N4O — CID 107482177

IUPAC2-[(3,6-dichloro-1,2,4-triazin-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol
SMILESOCCN(CC(F)(F)F)c1nc(Cl)nnc1Cl
InChIInChI=1S/C7H7Cl2F3N4O/c8-4-5(13-6(9)15-14-4)16(1-2-17)3-7(10,11)12/h17H,1-3H2
InChIKeyVGGVJFCYNGOLHI-UHFFFAOYSA-N
MW291.06 g/mol
LogP1.54
Rot. Bonds4

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

2-[(3,6-dichloro-1,2,4-triazin-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 107482177) has the molecular formula C7H7Cl2F3N4O and a molecular weight of 291.06 g/mol. Its IUPAC name is 2-[(3,6-dichloro-1,2,4-triazin-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(3,6-dichloro-1,2,4-triazin-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID107482177
Molecular FormulaC7H7Cl2F3N4O
Molecular Weight291.06 g/mol
Exact Mass289.99
IUPAC Name2-[(3,6-dichloro-1,2,4-triazin-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol
SMILESOCCN(CC(F)(F)F)c1nc(Cl)nnc1Cl
InChIInChI=1S/C7H7Cl2F3N4O/c8-4-5(13-6(9)15-14-4)16(1-2-17)3-7(10,11)12/h17H,1-3H2
InChIKeyVGGVJFCYNGOLHI-UHFFFAOYSA-N
XLogP1.54
TPSA62.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.06
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107482198
3,6-dichloro-N-methyl-N-(3,3,3-trifluoropropyl)-1,2,4-triazin-5-amine
CID 81035201
2-[(5-chloropyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107484369
2-[(5,6-diethyl-1,2,4-triazin-3-yl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107484546
2-[(5,6-dimethyl-1,2,4-triazin-3-yl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107484584
2-[(3-methylpyrazin-2-yl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107484362
2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-4,6-dimethylpyridine-3-carbothioamide
CID 107479877
3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carbothioamide
CID 107479884
2-[(5-bromopyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107484495
N'-(3,6-dichloro-1,2,4-triazin-5-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102995629
2-[2,2,2-trifluoroethyl-[6-(trifluoromethyl)pyridazin-3-yl]amino]ethanol
CID 107484538
2-[(4-amino-1-methylpyrazol-3-yl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107478379

Frequently Asked Questions

What is the IUPAC name of 2-[(3,6-dichloro-1,2,4-triazin-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[(3,6-dichloro-1,2,4-triazin-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol (CID 107482177) is 2-[(3,6-dichloro-1,2,4-triazin-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[(3,6-dichloro-1,2,4-triazin-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[(3,6-dichloro-1,2,4-triazin-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol is OCCN(CC(F)(F)F)c1nc(Cl)nnc1Cl.
What is the InChIKey of 2-[(3,6-dichloro-1,2,4-triazin-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is VGGVJFCYNGOLHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Cl2F3N4O/c8-4-5(13-6(9)15-14-4)16(1-2-17)3-7(10,11)12/h17H,1-3H2.
What are the key properties of 2-[(3,6-dichloro-1,2,4-triazin-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol?
2-[(3,6-dichloro-1,2,4-triazin-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 291.06 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,6-dichloro-1,2,4-triazin-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 107482177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).