2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-2-[2-(trifluoromethyl)phenyl]ethanol

C14H15F3N4O — CID 138051733

IUPAC2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-2-[2-(trifluoromethyl)phenyl]ethanol
SMILESCc1nnc(NC(CO)c2ccccc2C(F)(F)F)nc1C
InChIInChI=1S/C14H15F3N4O/c1-8-9(2)20-21-13(18-8)19-12(7-22)10-5-3-4-6-11(10)14(15,16)17/h3-6,12,22H,7H2,1-2H3,(H,18,19,21)
InChIKeyYTYVPXXYFWRVSR-UHFFFAOYSA-N
MW312.30 g/mol
LogP2.65
Rot. Bonds4

About 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-2-[2-(trifluoromethyl)phenyl]ethanol

2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-2-[2-(trifluoromethyl)phenyl]ethanol (PubChem CID 138051733) has the molecular formula C14H15F3N4O and a molecular weight of 312.30 g/mol. Its IUPAC name is 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-2-[2-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-2-[2-(trifluoromethyl)phenyl]ethanol
PubChem CID138051733
Molecular FormulaC14H15F3N4O
Molecular Weight312.30 g/mol
Exact Mass312.12
IUPAC Name2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-2-[2-(trifluoromethyl)phenyl]ethanol
SMILESCc1nnc(NC(CO)c2ccccc2C(F)(F)F)nc1C
InChIInChI=1S/C14H15F3N4O/c1-8-9(2)20-21-13(18-8)19-12(7-22)10-5-3-4-6-11(10)14(15,16)17/h3-6,12,22H,7H2,1-2H3,(H,18,19,21)
InChIKeyYTYVPXXYFWRVSR-UHFFFAOYSA-N
XLogP2.65
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-hydroxy-1-[2-(trifluoromethyl)phenyl]ethyl]-3-methyl-1,2-oxazole-4-carboxamide
CID 138053674
2-(butan-2-ylamino)-2-[2-(trifluoromethyl)phenyl]ethanol
CID 61049420
(2S)-2-amino-2-[2-(trifluoromethyl)phenyl]ethanol
CID 66514163
2-[1-[2-(trifluoromethyl)phenyl]ethylamino]propane-1,3-diol
CID 65310633
N-[1-[2-(trifluoromethyl)phenyl]propyl]aniline
CID 15399389
2-amino-2-[2-(trifluoromethyl)phenyl]ethanol;methane
CID 160725618
(1S)-N-methyl-1-[2-(trifluoromethyl)phenyl]propan-1-amine
CID 24890731
N-[2-hydroxy-1-[2-(trifluoromethyl)phenyl]ethyl]-2-methyl-1,2,4-triazole-3-carboxamide
CID 138052493
N-[2-hydroxy-1-[2-(trifluoromethyl)phenyl]ethyl]-3-methyloxetane-3-carboxamide
CID 138024701
3-[[2-amino-1-[2-(trifluoromethyl)phenyl]ethyl]amino]propan-1-ol
CID 65378871
N,3,3-trimethyl-1-[2-(trifluoromethyl)phenyl]butan-1-amine
CID 63890866
N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 62797395

Frequently Asked Questions

What is the IUPAC name of 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-2-[2-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-2-[2-(trifluoromethyl)phenyl]ethanol (CID 138051733) is 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-2-[2-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-2-[2-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-2-[2-(trifluoromethyl)phenyl]ethanol is Cc1nnc(NC(CO)c2ccccc2C(F)(F)F)nc1C.
What is the InChIKey of 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-2-[2-(trifluoromethyl)phenyl]ethanol?
The InChIKey is YTYVPXXYFWRVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4O/c1-8-9(2)20-21-13(18-8)19-12(7-22)10-5-3-4-6-11(10)14(15,16)17/h3-6,12,22H,7H2,1-2H3,(H,18,19,21).
What are the key properties of 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-2-[2-(trifluoromethyl)phenyl]ethanol?
2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-2-[2-(trifluoromethyl)phenyl]ethanol has a molecular weight of 312.30 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-2-[2-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 138051733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).