[2-(3,5-diethyl-1,2,4-triazol-1-yl)-6-fluorophenyl]methanol

C13H16FN3O — CID 114065334

IUPAC[2-(3,5-diethyl-1,2,4-triazol-1-yl)-6-fluorophenyl]methanol
SMILESCCc1nc(CC)n(-c2cccc(F)c2CO)n1
InChIInChI=1S/C13H16FN3O/c1-3-12-15-13(4-2)17(16-12)11-7-5-6-10(14)9(11)8-18/h5-7,18H,3-4,8H2,1-2H3
InChIKeyFOYLGHCAVSESHX-UHFFFAOYSA-N
MW249.29 g/mol
LogP2.02
Rot. Bonds4

About [2-(3,5-diethyl-1,2,4-triazol-1-yl)-6-fluorophenyl]methanol

[2-(3,5-diethyl-1,2,4-triazol-1-yl)-6-fluorophenyl]methanol (PubChem CID 114065334) has the molecular formula C13H16FN3O and a molecular weight of 249.29 g/mol. Its IUPAC name is [2-(3,5-diethyl-1,2,4-triazol-1-yl)-6-fluorophenyl]methanol.

Molecular Properties

Compound Name[2-(3,5-diethyl-1,2,4-triazol-1-yl)-6-fluorophenyl]methanol
PubChem CID114065334
Molecular FormulaC13H16FN3O
Molecular Weight249.29 g/mol
Exact Mass249.13
IUPAC Name[2-(3,5-diethyl-1,2,4-triazol-1-yl)-6-fluorophenyl]methanol
SMILESCCc1nc(CC)n(-c2cccc(F)c2CO)n1
InChIInChI=1S/C13H16FN3O/c1-3-12-15-13(4-2)17(16-12)11-7-5-6-10(14)9(11)8-18/h5-7,18H,3-4,8H2,1-2H3
InChIKeyFOYLGHCAVSESHX-UHFFFAOYSA-N
XLogP2.02
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-[2-(3,5-diethyl-1,2,4-triazol-1-yl)phenyl]ethanol
CID 79013978
2-(3,5-diethyl-1,2,4-triazol-1-yl)-4,6-difluoroaniline
CID 113325375
6-(3,5-diethyl-1,2,4-triazol-1-yl)-N-methylpyridin-2-amine
CID 80868281
[2-(benzotriazol-1-yl)-6-fluorophenyl]methanol
CID 114065329
4-(3,5-diethyl-1,2,4-triazol-1-yl)-3,5-difluorobenzenecarbothioamide
CID 81286578
6-(3,5-diethyl-1,2,4-triazol-1-yl)-N-ethylpyridin-2-amine
CID 80867855
2-[[5-ethyl-1-(2-fluorophenyl)-1,2,4-triazole-3-carbonyl]amino]propanoic acid
CID 119348935
8-(3,5-diethyl-1,2,4-triazol-1-yl)-7-fluoroquinolin-5-amine
CID 83166357
2-(3,5-diethyl-1,2,4-triazol-1-yl)-3-methylbenzoic acid
CID 107112511
2-(3,5-diethyl-1,2,4-triazol-1-yl)-5-methylbenzaldehyde
CID 114054285
1-[4-bromo-2-(3,5-diethyl-1,2,4-triazol-1-yl)phenyl]ethanol
CID 82970450
1-[5-(chloromethyl)-2-methylphenyl]-3,5-diethyl-1,2,4-triazole
CID 105405945

Frequently Asked Questions

What is the IUPAC name of [2-(3,5-diethyl-1,2,4-triazol-1-yl)-6-fluorophenyl]methanol?
The IUPAC name of [2-(3,5-diethyl-1,2,4-triazol-1-yl)-6-fluorophenyl]methanol (CID 114065334) is [2-(3,5-diethyl-1,2,4-triazol-1-yl)-6-fluorophenyl]methanol.
What is the SMILES notation for [2-(3,5-diethyl-1,2,4-triazol-1-yl)-6-fluorophenyl]methanol?
The canonical SMILES for [2-(3,5-diethyl-1,2,4-triazol-1-yl)-6-fluorophenyl]methanol is CCc1nc(CC)n(-c2cccc(F)c2CO)n1.
What is the InChIKey of [2-(3,5-diethyl-1,2,4-triazol-1-yl)-6-fluorophenyl]methanol?
The InChIKey is FOYLGHCAVSESHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O/c1-3-12-15-13(4-2)17(16-12)11-7-5-6-10(14)9(11)8-18/h5-7,18H,3-4,8H2,1-2H3.
What are the key properties of [2-(3,5-diethyl-1,2,4-triazol-1-yl)-6-fluorophenyl]methanol?
[2-(3,5-diethyl-1,2,4-triazol-1-yl)-6-fluorophenyl]methanol has a molecular weight of 249.29 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,5-diethyl-1,2,4-triazol-1-yl)-6-fluorophenyl]methanol is sourced from PubChem (CID 114065334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).