[5-cyclopropyl-1-[(3-fluorophenyl)methyl]triazol-4-yl]methanol

C13H14FN3O — CID 82211758

IUPAC[5-cyclopropyl-1-[(3-fluorophenyl)methyl]triazol-4-yl]methanol
SMILESOCc1nnn(Cc2cccc(F)c2)c1C1CC1
InChIInChI=1S/C13H14FN3O/c14-11-3-1-2-9(6-11)7-17-13(10-4-5-10)12(8-18)15-16-17/h1-3,6,10,18H,4-5,7-8H2
InChIKeyHLHIHCPNNPDATR-UHFFFAOYSA-N
MW247.27 g/mol
LogP1.84
Rot. Bonds4

About [5-cyclopropyl-1-[(3-fluorophenyl)methyl]triazol-4-yl]methanol

[5-cyclopropyl-1-[(3-fluorophenyl)methyl]triazol-4-yl]methanol (PubChem CID 82211758) has the molecular formula C13H14FN3O and a molecular weight of 247.27 g/mol. Its IUPAC name is [5-cyclopropyl-1-[(3-fluorophenyl)methyl]triazol-4-yl]methanol.

Molecular Properties

Compound Name[5-cyclopropyl-1-[(3-fluorophenyl)methyl]triazol-4-yl]methanol
PubChem CID82211758
Molecular FormulaC13H14FN3O
Molecular Weight247.27 g/mol
Exact Mass247.11
IUPAC Name[5-cyclopropyl-1-[(3-fluorophenyl)methyl]triazol-4-yl]methanol
SMILESOCc1nnn(Cc2cccc(F)c2)c1C1CC1
InChIInChI=1S/C13H14FN3O/c14-11-3-1-2-9(6-11)7-17-13(10-4-5-10)12(8-18)15-16-17/h1-3,6,10,18H,4-5,7-8H2
InChIKeyHLHIHCPNNPDATR-UHFFFAOYSA-N
XLogP1.84
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-cyclohexyl-1-[(3-fluorophenyl)methyl]triazol-4-yl]methanamine
CID 82211827
5-cyclopropyl-1-[(3-fluorophenyl)methyl]triazole-4-carbonitrile
CID 82211759
[1-[(3-fluorophenyl)methyl]-5-pyridin-3-yltriazol-4-yl]methanol
CID 82211803
[1-[(4-chlorophenyl)methyl]-5-cyclobutyltriazol-4-yl]methanol
CID 82203350
[1-[(3-chlorophenyl)methyl]-5-cyclohexyltriazol-4-yl]methanamine
CID 82203673
[1-[(4-fluorophenyl)methyl]-5-(oxolan-2-yl)triazol-4-yl]methanol
CID 82203508
3-[1-[(3-fluorophenyl)methyl]-5-methyltriazol-4-yl]propan-1-amine
CID 82211859
1-[(3-fluorophenyl)methyl]tetrazol-5-amine
CID 79506981
[1-[(3-fluorophenyl)methyl]-5-(3-methoxyphenyl)triazol-4-yl]methanamine
CID 94946400
[(2S,5R)-5-(1-benzyltetrazol-5-yl)-1-[(3-fluorophenyl)methyl]pyrrolidin-2-yl]methanol
CID 172884070
2-methylpropyl 1-[(3-fluorophenyl)methyl]-5-methyltriazole-4-carboxylate
CID 103112934
[1-[(3-chlorophenyl)methyl]-5-(2-fluorophenyl)triazol-4-yl]methanol
CID 94943384

Frequently Asked Questions

What is the IUPAC name of [5-cyclopropyl-1-[(3-fluorophenyl)methyl]triazol-4-yl]methanol?
The IUPAC name of [5-cyclopropyl-1-[(3-fluorophenyl)methyl]triazol-4-yl]methanol (CID 82211758) is [5-cyclopropyl-1-[(3-fluorophenyl)methyl]triazol-4-yl]methanol.
What is the SMILES notation for [5-cyclopropyl-1-[(3-fluorophenyl)methyl]triazol-4-yl]methanol?
The canonical SMILES for [5-cyclopropyl-1-[(3-fluorophenyl)methyl]triazol-4-yl]methanol is OCc1nnn(Cc2cccc(F)c2)c1C1CC1.
What is the InChIKey of [5-cyclopropyl-1-[(3-fluorophenyl)methyl]triazol-4-yl]methanol?
The InChIKey is HLHIHCPNNPDATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O/c14-11-3-1-2-9(6-11)7-17-13(10-4-5-10)12(8-18)15-16-17/h1-3,6,10,18H,4-5,7-8H2.
What are the key properties of [5-cyclopropyl-1-[(3-fluorophenyl)methyl]triazol-4-yl]methanol?
[5-cyclopropyl-1-[(3-fluorophenyl)methyl]triazol-4-yl]methanol has a molecular weight of 247.27 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-cyclopropyl-1-[(3-fluorophenyl)methyl]triazol-4-yl]methanol is sourced from PubChem (CID 82211758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).