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

C9H14F2N4O — CID 107484296

IUPAC2-[2,2-difluoroethyl-(5,6-dimethyl-1,2,4-triazin-3-yl)amino]ethanol
SMILESCc1nnc(N(CCO)CC(F)F)nc1C
InChIInChI=1S/C9H14F2N4O/c1-6-7(2)13-14-9(12-6)15(3-4-16)5-8(10)11/h8,16H,3-5H2,1-2H3
InChIKeyOLCANEJZOCTFLP-UHFFFAOYSA-N
MW232.23 g/mol
LogP0.55
Rot. Bonds5

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

2-[2,2-difluoroethyl-(5,6-dimethyl-1,2,4-triazin-3-yl)amino]ethanol (PubChem CID 107484296) has the molecular formula C9H14F2N4O and a molecular weight of 232.23 g/mol. Its IUPAC name is 2-[2,2-difluoroethyl-(5,6-dimethyl-1,2,4-triazin-3-yl)amino]ethanol.

Molecular Properties

Compound Name2-[2,2-difluoroethyl-(5,6-dimethyl-1,2,4-triazin-3-yl)amino]ethanol
PubChem CID107484296
Molecular FormulaC9H14F2N4O
Molecular Weight232.23 g/mol
Exact Mass232.11
IUPAC Name2-[2,2-difluoroethyl-(5,6-dimethyl-1,2,4-triazin-3-yl)amino]ethanol
SMILESCc1nnc(N(CCO)CC(F)F)nc1C
InChIInChI=1S/C9H14F2N4O/c1-6-7(2)13-14-9(12-6)15(3-4-16)5-8(10)11/h8,16H,3-5H2,1-2H3
InChIKeyOLCANEJZOCTFLP-UHFFFAOYSA-N
XLogP0.55
TPSA62.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(5,6-Dimethyl-1,2,4-triazin-3-yl)piperazin-1-yl]-2,2-difluoropropan-1-ol
CID 138019281
[(2R)-4-(5,6-dimethyl-1,2,4-triazin-3-yl)-1-methylpiperazin-2-yl]methanol
CID 164640080
1-(5-Amino-6-methyl-1,2,4-triazin-3-yl)-3-(trifluoromethyl)azetidin-3-ol
CID 144867891
4-[5,6-Bis(trifluoromethyl)-1,2,4-triazin-3-yl]morpholine
CID 21605229
(2R)-3-[4-(5,6-dimethyl-1,2,4-triazin-3-yl)piperazin-1-yl]-1,1,1-trifluoropropan-2-ol
CID 100639005
(2S)-3-[4-(5,6-dimethyl-1,2,4-triazin-3-yl)piperazin-1-yl]-1,1,1-trifluoropropan-2-ol
CID 100639019
3-[(5,6-Dimethyl-1,2,4-triazin-3-yl)amino]-1,1,1-trifluoropropan-2-ol
CID 104918969
3-[(5,6-Dimethyl-1,2,4-triazin-3-yl)amino]-1,1-difluoropropan-2-ol
CID 104924655
3-[(5,6-Dimethyl-1,2,4-triazin-3-yl)amino]-2,2-difluoropropan-1-ol
CID 104925417
N-[2-(2,2-difluoroethoxy)ethyl]-5,6-dimethyl-1,2,4-triazin-3-amine
CID 106545889
2-[(5,6-Diethyl-1,2,4-triazin-3-yl)-(2,2-difluoroethyl)amino]ethanol
CID 107484260
2-[(5,6-Diethyl-1,2,4-triazin-3-yl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107484546

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-difluoroethyl-(5,6-dimethyl-1,2,4-triazin-3-yl)amino]ethanol?
The IUPAC name of 2-[2,2-difluoroethyl-(5,6-dimethyl-1,2,4-triazin-3-yl)amino]ethanol (CID 107484296) is 2-[2,2-difluoroethyl-(5,6-dimethyl-1,2,4-triazin-3-yl)amino]ethanol.
What is the SMILES notation for 2-[2,2-difluoroethyl-(5,6-dimethyl-1,2,4-triazin-3-yl)amino]ethanol?
The canonical SMILES for 2-[2,2-difluoroethyl-(5,6-dimethyl-1,2,4-triazin-3-yl)amino]ethanol is Cc1nnc(N(CCO)CC(F)F)nc1C.
What is the InChIKey of 2-[2,2-difluoroethyl-(5,6-dimethyl-1,2,4-triazin-3-yl)amino]ethanol?
The InChIKey is OLCANEJZOCTFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N4O/c1-6-7(2)13-14-9(12-6)15(3-4-16)5-8(10)11/h8,16H,3-5H2,1-2H3.
What are the key properties of 2-[2,2-difluoroethyl-(5,6-dimethyl-1,2,4-triazin-3-yl)amino]ethanol?
2-[2,2-difluoroethyl-(5,6-dimethyl-1,2,4-triazin-3-yl)amino]ethanol has a molecular weight of 232.23 g/mol, XLogP of 0.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-difluoroethyl-(5,6-dimethyl-1,2,4-triazin-3-yl)amino]ethanol is sourced from PubChem (CID 107484296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).