1-(2-amino-5-fluorophenyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanol

C14H19FN4O — CID 82685783

IUPAC1-(2-amino-5-fluorophenyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanol
SMILESCC(C)Cn1ncnc1CC(O)c1cc(F)ccc1N
InChIInChI=1S/C14H19FN4O/c1-9(2)7-19-14(17-8-18-19)6-13(20)11-5-10(15)3-4-12(11)16/h3-5,8-9,13,20H,6-7,16H2,1-2H3
InChIKeyRFPPJXIIKGZHHV-UHFFFAOYSA-N
MW278.33 g/mol
LogP1.93
Rot. Bonds5

About 1-(2-amino-5-fluorophenyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanol

1-(2-amino-5-fluorophenyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanol (PubChem CID 82685783) has the molecular formula C14H19FN4O and a molecular weight of 278.33 g/mol. Its IUPAC name is 1-(2-amino-5-fluorophenyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanol.

Molecular Properties

Compound Name1-(2-amino-5-fluorophenyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanol
PubChem CID82685783
Molecular FormulaC14H19FN4O
Molecular Weight278.33 g/mol
Exact Mass278.15
IUPAC Name1-(2-amino-5-fluorophenyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanol
SMILESCC(C)Cn1ncnc1CC(O)c1cc(F)ccc1N
InChIInChI=1S/C14H19FN4O/c1-9(2)7-19-14(17-8-18-19)6-13(20)11-5-10(15)3-4-12(11)16/h3-5,8-9,13,20H,6-7,16H2,1-2H3
InChIKeyRFPPJXIIKGZHHV-UHFFFAOYSA-N
XLogP1.93
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 51.93
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

4-fluoro-2-[1-hydrazinyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]aniline
CID 105263199
1-(2-amino-5-fluorophenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol
CID 82685780
[1-(5-fluoro-2-methylphenyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]hydrazine
CID 105211592
1-(3-aminophenyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanol
CID 106695869
1-(2-bromo-3-fluorophenyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanol
CID 115814180
1-(2-bromo-5-fluorophenyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol
CID 115813911
1-(2-amino-5-fluorophenyl)-3-methylbutan-1-ol
CID 82685546
1-(3-chloro-2-methylphenyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanol
CID 107103397
5-[(5-fluoro-2-methylphenoxy)methyl]-1-(2-methylpropyl)-1,2,4-triazole
CID 102975462
1-(2-amino-5-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanol
CID 82682714
1-(1-benzothiophen-2-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanol
CID 115814230
1-(2-amino-5-fluorophenyl)-2-(1,3-thiazol-2-yl)ethanol
CID 82685101

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-fluorophenyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanol?
The IUPAC name of 1-(2-amino-5-fluorophenyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanol (CID 82685783) is 1-(2-amino-5-fluorophenyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanol.
What is the SMILES notation for 1-(2-amino-5-fluorophenyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanol?
The canonical SMILES for 1-(2-amino-5-fluorophenyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanol is CC(C)Cn1ncnc1CC(O)c1cc(F)ccc1N.
What is the InChIKey of 1-(2-amino-5-fluorophenyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanol?
The InChIKey is RFPPJXIIKGZHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN4O/c1-9(2)7-19-14(17-8-18-19)6-13(20)11-5-10(15)3-4-12(11)16/h3-5,8-9,13,20H,6-7,16H2,1-2H3.
What are the key properties of 1-(2-amino-5-fluorophenyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanol?
1-(2-amino-5-fluorophenyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanol has a molecular weight of 278.33 g/mol, XLogP of 1.93, 5 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-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanol is sourced from PubChem (CID 82685783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).