1-(4-fluorophenyl)-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]ethanol

C13H17FN4O — CID 63332212

IUPAC1-(4-fluorophenyl)-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]ethanol
SMILESCn1cnnc1CCNCC(O)c1ccc(F)cc1
InChIInChI=1S/C13H17FN4O/c1-18-9-16-17-13(18)6-7-15-8-12(19)10-2-4-11(14)5-3-10/h2-5,9,12,15,19H,6-8H2,1H3
InChIKeyXENCOYZLZKVXMI-UHFFFAOYSA-N
MW264.30 g/mol
LogP0.82
Rot. Bonds6

About 1-(4-fluorophenyl)-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]ethanol

1-(4-fluorophenyl)-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]ethanol (PubChem CID 63332212) has the molecular formula C13H17FN4O and a molecular weight of 264.30 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]ethanol.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]ethanol
PubChem CID63332212
Molecular FormulaC13H17FN4O
Molecular Weight264.30 g/mol
Exact Mass264.14
IUPAC Name1-(4-fluorophenyl)-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]ethanol
SMILESCn1cnnc1CCNCC(O)c1ccc(F)cc1
InChIInChI=1S/C13H17FN4O/c1-18-9-16-17-13(18)6-7-15-8-12(19)10-2-4-11(14)5-3-10/h2-5,9,12,15,19H,6-8H2,1H3
InChIKeyXENCOYZLZKVXMI-UHFFFAOYSA-N
XLogP0.82
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(4-fluorophenoxy)-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol
CID 63332575
(2R)-1-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol
CID 106932117
N-[(4-fluorophenyl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 63328885
1-(4-chlorophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]ethanol
CID 62118821
1-(3,4-difluorophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]ethanol
CID 62119737
1-methoxy-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol
CID 63930079
3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-2-phenylpropanoic acid
CID 64561158
2,2-dimethoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine
CID 63696017
2-amino-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanamide
CID 103251288
N-[(2,5-difluorophenyl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 63332710
5-fluoro-N'-hydroxy-2-[[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]benzenecarboximidamide
CID 77028697
1-(4-fluorophenyl)-2-(3-methylbutylamino)ethanol
CID 60714901

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]ethanol?
The IUPAC name of 1-(4-fluorophenyl)-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]ethanol (CID 63332212) is 1-(4-fluorophenyl)-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]ethanol.
What is the SMILES notation for 1-(4-fluorophenyl)-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]ethanol?
The canonical SMILES for 1-(4-fluorophenyl)-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]ethanol is Cn1cnnc1CCNCC(O)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]ethanol?
The InChIKey is XENCOYZLZKVXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN4O/c1-18-9-16-17-13(18)6-7-15-8-12(19)10-2-4-11(14)5-3-10/h2-5,9,12,15,19H,6-8H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]ethanol?
1-(4-fluorophenyl)-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]ethanol has a molecular weight of 264.30 g/mol, XLogP of 0.82, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]ethanol is sourced from PubChem (CID 63332212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).