[1-ethyl-5-[(4-fluorophenyl)methyl]triazol-4-yl]methanol

C12H14FN3O — CID 82207310

IUPAC[1-ethyl-5-[(4-fluorophenyl)methyl]triazol-4-yl]methanol
SMILESCCn1nnc(CO)c1Cc1ccc(F)cc1
InChIInChI=1S/C12H14FN3O/c1-2-16-12(11(8-17)14-15-16)7-9-3-5-10(13)6-4-9/h3-6,17H,2,7-8H2,1H3
InChIKeyKFLUCBOVXCUKPD-UHFFFAOYSA-N
MW235.26 g/mol
LogP1.52
Rot. Bonds4

About [1-ethyl-5-[(4-fluorophenyl)methyl]triazol-4-yl]methanol

[1-ethyl-5-[(4-fluorophenyl)methyl]triazol-4-yl]methanol (PubChem CID 82207310) has the molecular formula C12H14FN3O and a molecular weight of 235.26 g/mol. Its IUPAC name is [1-ethyl-5-[(4-fluorophenyl)methyl]triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-ethyl-5-[(4-fluorophenyl)methyl]triazol-4-yl]methanol
PubChem CID82207310
Molecular FormulaC12H14FN3O
Molecular Weight235.26 g/mol
Exact Mass235.11
IUPAC Name[1-ethyl-5-[(4-fluorophenyl)methyl]triazol-4-yl]methanol
SMILESCCn1nnc(CO)c1Cc1ccc(F)cc1
InChIInChI=1S/C12H14FN3O/c1-2-16-12(11(8-17)14-15-16)7-9-3-5-10(13)6-4-9/h3-6,17H,2,7-8H2,1H3
InChIKeyKFLUCBOVXCUKPD-UHFFFAOYSA-N
XLogP1.52
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-Octyltriazol-4-yl)-2-phenyl-ethanol
CID 56673743
(1-(2,2-difluoro-2-phenylethyl)-1H-1,2,3-triazol-4-yl)methanol
CID 113564363
[3-Benzyl-5-[4-(trifluoromethyl)phenyl]triazol-4-yl]methanol
CID 138980862
(1-Benzyl-5-iodotriazol-4-yl)methanol
CID 132562137
2-[4-(hydroxymethyl)-5-(2-phenylethyl)triazol-1-yl]-N-methylacetamide
CID 56766402
[5-(4-Fluorophenyl)-3-propan-2-yltriazol-4-yl]methanol
CID 19914682
[5-(4-Fluoro-phenyl)-3-trimethylsilanylmethyl-3H-[1,2,3]triazol-4-yl]-methanol
CID 67496703
(4-(2-Fluorophenyl)-1-methyl-1H-1,2,3-triazol-5-yl)methanol
CID 67498210
[5-(4-Fluoro-phenyl)-3-methyl-3H-[1,2,3]triazol-4-yl]-methanol
CID 67498408
[1-(3,5-bis-trifluoromethyl-benzyl)-5-phenyl-1H-[1,2,3]triazol-4-yl]-methanol
CID 86601208
[5-(3,4-Difluorophenyl)-3-methyltriazol-4-yl]methanol
CID 90021444
(4-Fluorophenyl)(1-methyl-1H-1,2,3-triazol-4-yl)methanol
CID 124180140

Frequently Asked Questions

What is the IUPAC name of [1-ethyl-5-[(4-fluorophenyl)methyl]triazol-4-yl]methanol?
The IUPAC name of [1-ethyl-5-[(4-fluorophenyl)methyl]triazol-4-yl]methanol (CID 82207310) is [1-ethyl-5-[(4-fluorophenyl)methyl]triazol-4-yl]methanol.
What is the SMILES notation for [1-ethyl-5-[(4-fluorophenyl)methyl]triazol-4-yl]methanol?
The canonical SMILES for [1-ethyl-5-[(4-fluorophenyl)methyl]triazol-4-yl]methanol is CCn1nnc(CO)c1Cc1ccc(F)cc1.
What is the InChIKey of [1-ethyl-5-[(4-fluorophenyl)methyl]triazol-4-yl]methanol?
The InChIKey is KFLUCBOVXCUKPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O/c1-2-16-12(11(8-17)14-15-16)7-9-3-5-10(13)6-4-9/h3-6,17H,2,7-8H2,1H3.
What are the key properties of [1-ethyl-5-[(4-fluorophenyl)methyl]triazol-4-yl]methanol?
[1-ethyl-5-[(4-fluorophenyl)methyl]triazol-4-yl]methanol has a molecular weight of 235.26 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-ethyl-5-[(4-fluorophenyl)methyl]triazol-4-yl]methanol is sourced from PubChem (CID 82207310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).