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

C5H6F2N4O — CID 19897300

IUPAC1-[(4,6-difluoro-1,3,5-triazin-2-yl)amino]ethanol
SMILESCC(O)Nc1nc(F)nc(F)n1
InChIInChI=1S/C5H6F2N4O/c1-2(12)8-5-10-3(6)9-4(7)11-5/h2,12H,1H3,(H,8,9,10,11)
InChIKeyVXPBIFGXYXLSPU-UHFFFAOYSA-N
MW176.13 g/mol
LogP-0.10
Rot. Bonds2

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

1-[(4,6-difluoro-1,3,5-triazin-2-yl)amino]ethanol (PubChem CID 19897300) has the molecular formula C5H6F2N4O and a molecular weight of 176.13 g/mol. Its IUPAC name is 1-[(4,6-difluoro-1,3,5-triazin-2-yl)amino]ethanol.

Molecular Properties

Compound Name1-[(4,6-difluoro-1,3,5-triazin-2-yl)amino]ethanol
PubChem CID19897300
Molecular FormulaC5H6F2N4O
Molecular Weight176.13 g/mol
Exact Mass176.05
IUPAC Name1-[(4,6-difluoro-1,3,5-triazin-2-yl)amino]ethanol
SMILESCC(O)Nc1nc(F)nc(F)n1
InChIInChI=1S/C5H6F2N4O/c1-2(12)8-5-10-3(6)9-4(7)11-5/h2,12H,1H3,(H,8,9,10,11)
InChIKeyVXPBIFGXYXLSPU-UHFFFAOYSA-N
XLogP-0.10
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.13
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-{[4,6-Bis(ethylamino)-1,3,5-triazin-2-YL]amino}ethanol
CID 3138159
[[4-(Methylamino)-6-(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]methanol
CID 10019773
2-[(4,6-Difluoro-1,3,5-triazin-2-yl)amino]ethane-1,1-diol
CID 20337621
3-[(4,6-Difluoro-1,3,5-triazin-2-yl)amino]propan-1-ol
CID 53901052
4,6-difluoro-N-(2-methoxyethyl)-1,3,5-triazin-2-amine
CID 54335958
2-[(4-Fluoro-1,3,5-triazin-2-yl)amino]ethanol
CID 54438107
2-[(4,6-Difluoro-1,3,5-triazin-2-yl)amino]ethanol
CID 54479155
2-[(4,6-Dimethoxy-1,3,5-triazin-2-yl)amino]ethanol
CID 264888
2-N-ethyl-4-N-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine
CID 4252347
[[4,6-Bis(methylamino)-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]methanol
CID 10333116
2-N,4-N-diethyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine
CID 14014363
6-ethoxy-4-N-ethyl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
CID 80786583

Frequently Asked Questions

What is the IUPAC name of 1-[(4,6-difluoro-1,3,5-triazin-2-yl)amino]ethanol?
The IUPAC name of 1-[(4,6-difluoro-1,3,5-triazin-2-yl)amino]ethanol (CID 19897300) is 1-[(4,6-difluoro-1,3,5-triazin-2-yl)amino]ethanol.
What is the SMILES notation for 1-[(4,6-difluoro-1,3,5-triazin-2-yl)amino]ethanol?
The canonical SMILES for 1-[(4,6-difluoro-1,3,5-triazin-2-yl)amino]ethanol is CC(O)Nc1nc(F)nc(F)n1.
What is the InChIKey of 1-[(4,6-difluoro-1,3,5-triazin-2-yl)amino]ethanol?
The InChIKey is VXPBIFGXYXLSPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F2N4O/c1-2(12)8-5-10-3(6)9-4(7)11-5/h2,12H,1H3,(H,8,9,10,11).
What are the key properties of 1-[(4,6-difluoro-1,3,5-triazin-2-yl)amino]ethanol?
1-[(4,6-difluoro-1,3,5-triazin-2-yl)amino]ethanol has a molecular weight of 176.13 g/mol, XLogP of -0.10, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,6-difluoro-1,3,5-triazin-2-yl)amino]ethanol is sourced from PubChem (CID 19897300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).