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

C14H19FN4O — CID 91842755

IUPAC2-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl-[(4-fluorophenyl)methyl]amino]ethanol
SMILESCCc1n[nH]c(CN(CCO)Cc2ccc(F)cc2)n1
InChIInChI=1S/C14H19FN4O/c1-2-13-16-14(18-17-13)10-19(7-8-20)9-11-3-5-12(15)6-4-11/h3-6,20H,2,7-10H2,1H3,(H,16,17,18)
InChIKeyFUGYGRJAPWPFMM-UHFFFAOYSA-N
MW278.33 g/mol
LogP1.50
Rot. Bonds7

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

2-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl-[(4-fluorophenyl)methyl]amino]ethanol (PubChem CID 91842755) has the molecular formula C14H19FN4O and a molecular weight of 278.33 g/mol. Its IUPAC name is 2-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl-[(4-fluorophenyl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl-[(4-fluorophenyl)methyl]amino]ethanol
PubChem CID91842755
Molecular FormulaC14H19FN4O
Molecular Weight278.33 g/mol
Exact Mass278.15
IUPAC Name2-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl-[(4-fluorophenyl)methyl]amino]ethanol
SMILESCCc1n[nH]c(CN(CCO)Cc2ccc(F)cc2)n1
InChIInChI=1S/C14H19FN4O/c1-2-13-16-14(18-17-13)10-19(7-8-20)9-11-3-5-12(15)6-4-11/h3-6,20H,2,7-10H2,1H3,(H,16,17,18)
InChIKeyFUGYGRJAPWPFMM-UHFFFAOYSA-N
XLogP1.50
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl-[(4-fluorophenyl)methyl]amino]ethanol?
The IUPAC name of 2-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl-[(4-fluorophenyl)methyl]amino]ethanol (CID 91842755) is 2-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl-[(4-fluorophenyl)methyl]amino]ethanol.
What is the SMILES notation for 2-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl-[(4-fluorophenyl)methyl]amino]ethanol?
The canonical SMILES for 2-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl-[(4-fluorophenyl)methyl]amino]ethanol is CCc1n[nH]c(CN(CCO)Cc2ccc(F)cc2)n1.
What is the InChIKey of 2-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl-[(4-fluorophenyl)methyl]amino]ethanol?
The InChIKey is FUGYGRJAPWPFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN4O/c1-2-13-16-14(18-17-13)10-19(7-8-20)9-11-3-5-12(15)6-4-11/h3-6,20H,2,7-10H2,1H3,(H,16,17,18).
What are the key properties of 2-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl-[(4-fluorophenyl)methyl]amino]ethanol?
2-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl-[(4-fluorophenyl)methyl]amino]ethanol has a molecular weight of 278.33 g/mol, XLogP of 1.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl-[(4-fluorophenyl)methyl]amino]ethanol is sourced from PubChem (CID 91842755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).