1-(2-amino-5-fluorophenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol

C11H13FN4O — CID 82685780

IUPAC1-(2-amino-5-fluorophenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol
SMILESCn1ncnc1CC(O)c1cc(F)ccc1N
InChIInChI=1S/C11H13FN4O/c1-16-11(14-6-15-16)5-10(17)8-4-7(12)2-3-9(8)13/h2-4,6,10,17H,5,13H2,1H3
InChIKeyYMDYLYJWTPYDBI-UHFFFAOYSA-N
MW236.25 g/mol
LogP0.81
Rot. Bonds3

About 1-(2-amino-5-fluorophenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol

1-(2-amino-5-fluorophenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol (PubChem CID 82685780) has the molecular formula C11H13FN4O and a molecular weight of 236.25 g/mol. Its IUPAC name is 1-(2-amino-5-fluorophenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol.

Molecular Properties

Compound Name1-(2-amino-5-fluorophenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol
PubChem CID82685780
Molecular FormulaC11H13FN4O
Molecular Weight236.25 g/mol
Exact Mass236.11
IUPAC Name1-(2-amino-5-fluorophenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol
SMILESCn1ncnc1CC(O)c1cc(F)ccc1N
InChIInChI=1S/C11H13FN4O/c1-16-11(14-6-15-16)5-10(17)8-4-7(12)2-3-9(8)13/h2-4,6,10,17H,5,13H2,1H3
InChIKeyYMDYLYJWTPYDBI-UHFFFAOYSA-N
XLogP0.81
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(2-amino-5-fluorophenyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanol
CID 82685783
1-(2-amino-5-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanol
CID 82682714
1-(2-methylsulfanylphenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol
CID 115812649
1-(2-bromo-5-fluorophenyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol
CID 115813911
[1-(2-chloro-4-fluorophenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105215350
1-(2,4-dibromophenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol
CID 107947585
1-(2-amino-5-fluorophenyl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethanol
CID 82684546
1-(2-amino-5-fluorophenyl)-2-(1,3-thiazol-2-yl)ethanol
CID 82685101
1-(2-methyl-4-pyridinyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol
CID 106756246
1-(2-amino-5-fluorophenyl)-2-(2-amino-3-pyridinyl)ethanol
CID 82684971
4-fluoro-2-[1-hydrazinyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]aniline
CID 105263199
1-(2-amino-5-fluorophenyl)-3-methylbutan-1-ol
CID 82685546

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-fluorophenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol?
The IUPAC name of 1-(2-amino-5-fluorophenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol (CID 82685780) is 1-(2-amino-5-fluorophenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol.
What is the SMILES notation for 1-(2-amino-5-fluorophenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol?
The canonical SMILES for 1-(2-amino-5-fluorophenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol is Cn1ncnc1CC(O)c1cc(F)ccc1N.
What is the InChIKey of 1-(2-amino-5-fluorophenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol?
The InChIKey is YMDYLYJWTPYDBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4O/c1-16-11(14-6-15-16)5-10(17)8-4-7(12)2-3-9(8)13/h2-4,6,10,17H,5,13H2,1H3.
What are the key properties of 1-(2-amino-5-fluorophenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol?
1-(2-amino-5-fluorophenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol has a molecular weight of 236.25 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-fluorophenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol is sourced from PubChem (CID 82685780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).