[5-(2,4-difluorophenyl)-3-methyltriazol-4-yl]methanol

C10H9F2N3O — CID 157046445

IUPAC[5-(2,4-difluorophenyl)-3-methyltriazol-4-yl]methanol
SMILESCn1nnc(-c2ccc(F)cc2F)c1CO
InChIInChI=1S/C10H9F2N3O/c1-15-9(5-16)10(13-14-15)7-3-2-6(11)4-8(7)12/h2-4,16H,5H2,1H3
InChIKeyZIBXXIAWYNPOMS-UHFFFAOYSA-N
MW225.20 g/mol
LogP1.25
Rot. Bonds2

About [5-(2,4-difluorophenyl)-3-methyltriazol-4-yl]methanol

[5-(2,4-difluorophenyl)-3-methyltriazol-4-yl]methanol (PubChem CID 157046445) has the molecular formula C10H9F2N3O and a molecular weight of 225.20 g/mol. Its IUPAC name is [5-(2,4-difluorophenyl)-3-methyltriazol-4-yl]methanol.

Molecular Properties

Compound Name[5-(2,4-difluorophenyl)-3-methyltriazol-4-yl]methanol
PubChem CID157046445
Molecular FormulaC10H9F2N3O
Molecular Weight225.20 g/mol
Exact Mass225.07
IUPAC Name[5-(2,4-difluorophenyl)-3-methyltriazol-4-yl]methanol
SMILESCn1nnc(-c2ccc(F)cc2F)c1CO
InChIInChI=1S/C10H9F2N3O/c1-15-9(5-16)10(13-14-15)7-3-2-6(11)4-8(7)12/h2-4,16H,5H2,1H3
InChIKeyZIBXXIAWYNPOMS-UHFFFAOYSA-N
XLogP1.25
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-Phenyl-5-(2,2,2-trifluoroethyl)triazol-1-yl]propan-1-ol
CID 134860578
[3-Benzyl-5-[4-(trifluoromethyl)phenyl]triazol-4-yl]methanol
CID 138980862
[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
[5-(3,5-Difluorophenyl)-4-ethyl-1-methylpyrazol-3-yl]methanol
CID 68682250
5-(4-Fluorophenyl)-1-methyl-1H-pyrazole-3-methanol
CID 82048676
[1-(3,5-bis-trifluoromethyl-benzyl)-5-phenyl-1H-[1,2,3]triazol-4-yl]-methanol
CID 86601208
1-[1-[[3,5-Bis(trifluoromethyl)phenyl]methyl]-5-phenyltriazol-4-yl]-3-(4-fluorophenyl)prop-2-yn-1-ol
CID 87705247
1-[1-[[3,5-Bis(trifluoromethyl)phenyl]methyl]-5-phenyltriazol-4-yl]-3-(2-fluorophenyl)prop-2-yn-1-ol
CID 87705581
[5-(3,4-Difluorophenyl)-3-methyltriazol-4-yl]methanol
CID 90021444

Frequently Asked Questions

What is the IUPAC name of [5-(2,4-difluorophenyl)-3-methyltriazol-4-yl]methanol?
The IUPAC name of [5-(2,4-difluorophenyl)-3-methyltriazol-4-yl]methanol (CID 157046445) is [5-(2,4-difluorophenyl)-3-methyltriazol-4-yl]methanol.
What is the SMILES notation for [5-(2,4-difluorophenyl)-3-methyltriazol-4-yl]methanol?
The canonical SMILES for [5-(2,4-difluorophenyl)-3-methyltriazol-4-yl]methanol is Cn1nnc(-c2ccc(F)cc2F)c1CO.
What is the InChIKey of [5-(2,4-difluorophenyl)-3-methyltriazol-4-yl]methanol?
The InChIKey is ZIBXXIAWYNPOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2N3O/c1-15-9(5-16)10(13-14-15)7-3-2-6(11)4-8(7)12/h2-4,16H,5H2,1H3.
What are the key properties of [5-(2,4-difluorophenyl)-3-methyltriazol-4-yl]methanol?
[5-(2,4-difluorophenyl)-3-methyltriazol-4-yl]methanol has a molecular weight of 225.20 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,4-difluorophenyl)-3-methyltriazol-4-yl]methanol is sourced from PubChem (CID 157046445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).