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

C5H7FN4O — CID 54438107

IUPAC2-[(4-fluoro-1,3,5-triazin-2-yl)amino]ethanol
SMILESOCCNc1ncnc(F)n1
InChIInChI=1S/C5H7FN4O/c6-4-8-3-9-5(10-4)7-1-2-11/h3,11H,1-2H2,(H,7,8,9,10)
InChIKeyZVNIXCOBHKKDLR-UHFFFAOYSA-N
MW158.14 g/mol
LogP-0.59
Rot. Bonds3

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

2-[(4-fluoro-1,3,5-triazin-2-yl)amino]ethanol (PubChem CID 54438107) has the molecular formula C5H7FN4O and a molecular weight of 158.14 g/mol. Its IUPAC name is 2-[(4-fluoro-1,3,5-triazin-2-yl)amino]ethanol.

Molecular Properties

Compound Name2-[(4-fluoro-1,3,5-triazin-2-yl)amino]ethanol
PubChem CID54438107
Molecular FormulaC5H7FN4O
Molecular Weight158.14 g/mol
Exact Mass158.06
IUPAC Name2-[(4-fluoro-1,3,5-triazin-2-yl)amino]ethanol
SMILESOCCNc1ncnc(F)n1
InChIInChI=1S/C5H7FN4O/c6-4-8-3-9-5(10-4)7-1-2-11/h3,11H,1-2H2,(H,7,8,9,10)
InChIKeyZVNIXCOBHKKDLR-UHFFFAOYSA-N
XLogP-0.59
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.14
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1,3,5-Triazine, 2-amino-4,6-bis(2-hydroxy)ethylamino-
CID 11171897
2-[(4,6-Dichloro-1,3,5-triazin-2-yl)amino]ethanol
CID 97106
(2'-Hydroxyethyl)amino-1,3,5-triazine
CID 19956672
1-[(4,6-Difluoro-1,3,5-triazin-2-yl)amino]ethanol
CID 19897300
2-[(4,6-Difluoro-1,3,5-triazin-2-yl)amino]ethane-1,1-diol
CID 20337621
2-[(4-Fluoro-1,3,5-triazin-2-yl)-(2-hydroxyethyl)amino]ethanol
CID 53713430
4-fluoro-N-(2-methoxyethyl)-1,3,5-triazin-2-amine
CID 54279763
2-[(4,6-Difluoro-1,3,5-triazin-2-yl)amino]ethanol
CID 54479155
1-Fluoro-2-[[4-[(2-fluoro-2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]ethanol
CID 57190775
2-[[4,4-Difluoro-2-(2-hydroxyethylamino)-1,3-dihydro-1,3,5-triazin-2-yl]amino]ethanol;1,3,5-triazine
CID 88517679
1-[(4-Fluoro-1,3,5-triazin-2-yl)amino]propan-2-ol
CID 173314858
Chloro(3-((4-amino-1,3,5-triazin-2-yl)amino)-2-hydroxypropyl)mercury
CID 11971883

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoro-1,3,5-triazin-2-yl)amino]ethanol?
The IUPAC name of 2-[(4-fluoro-1,3,5-triazin-2-yl)amino]ethanol (CID 54438107) is 2-[(4-fluoro-1,3,5-triazin-2-yl)amino]ethanol.
What is the SMILES notation for 2-[(4-fluoro-1,3,5-triazin-2-yl)amino]ethanol?
The canonical SMILES for 2-[(4-fluoro-1,3,5-triazin-2-yl)amino]ethanol is OCCNc1ncnc(F)n1.
What is the InChIKey of 2-[(4-fluoro-1,3,5-triazin-2-yl)amino]ethanol?
The InChIKey is ZVNIXCOBHKKDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7FN4O/c6-4-8-3-9-5(10-4)7-1-2-11/h3,11H,1-2H2,(H,7,8,9,10).
What are the key properties of 2-[(4-fluoro-1,3,5-triazin-2-yl)amino]ethanol?
2-[(4-fluoro-1,3,5-triazin-2-yl)amino]ethanol has a molecular weight of 158.14 g/mol, XLogP of -0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoro-1,3,5-triazin-2-yl)amino]ethanol is sourced from PubChem (CID 54438107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).