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

C11H12FN3O — CID 82207725

IUPAC[5-[(4-fluorophenyl)methyl]-1-methyltriazol-4-yl]methanol
SMILESCn1nnc(CO)c1Cc1ccc(F)cc1
InChIInChI=1S/C11H12FN3O/c1-15-11(10(7-16)13-14-15)6-8-2-4-9(12)5-3-8/h2-5,16H,6-7H2,1H3
InChIKeyJKNFPLPKFSLOMT-UHFFFAOYSA-N
MW221.24 g/mol
LogP1.04
Rot. Bonds3

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

[5-[(4-fluorophenyl)methyl]-1-methyltriazol-4-yl]methanol (PubChem CID 82207725) has the molecular formula C11H12FN3O and a molecular weight of 221.24 g/mol. Its IUPAC name is [5-[(4-fluorophenyl)methyl]-1-methyltriazol-4-yl]methanol.

Molecular Properties

Compound Name[5-[(4-fluorophenyl)methyl]-1-methyltriazol-4-yl]methanol
PubChem CID82207725
Molecular FormulaC11H12FN3O
Molecular Weight221.24 g/mol
Exact Mass221.10
IUPAC Name[5-[(4-fluorophenyl)methyl]-1-methyltriazol-4-yl]methanol
SMILESCn1nnc(CO)c1Cc1ccc(F)cc1
InChIInChI=1S/C11H12FN3O/c1-15-11(10(7-16)13-14-15)6-8-2-4-9(12)5-3-8/h2-5,16H,6-7H2,1H3
InChIKeyJKNFPLPKFSLOMT-UHFFFAOYSA-N
XLogP1.04
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[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-(3,4-Difluorophenyl)-3-methyltriazol-4-yl]methanol
CID 90021444
(4-Fluorophenyl)(1-methyl-1H-1,2,3-triazol-4-yl)methanol
CID 124180140
[5-[2-Fluoro-4-(trifluoromethyl)phenyl]-3-methyltriazol-4-yl]methanol
CID 157046441
[5-(2,4-Difluorophenyl)-3-methyltriazol-4-yl]methanol
CID 157046445
[5-(4-Chloro-2-fluorophenyl)-3-methyltriazol-4-yl]methanol
CID 157046520
[5-(4-Chloro-2-fluorophenyl)-3-ethyltriazol-4-yl]methanol
CID 157046571
[1-benzyl-5-(difluoromethyl)-1H-1,2,3-triazol-4-yl]methanol
CID 165139847
[5-[4-(Difluoromethyl)phenyl]-3-methyltriazol-4-yl]methanol
CID 167438859

Frequently Asked Questions

What is the IUPAC name of [5-[(4-fluorophenyl)methyl]-1-methyltriazol-4-yl]methanol?
The IUPAC name of [5-[(4-fluorophenyl)methyl]-1-methyltriazol-4-yl]methanol (CID 82207725) is [5-[(4-fluorophenyl)methyl]-1-methyltriazol-4-yl]methanol.
What is the SMILES notation for [5-[(4-fluorophenyl)methyl]-1-methyltriazol-4-yl]methanol?
The canonical SMILES for [5-[(4-fluorophenyl)methyl]-1-methyltriazol-4-yl]methanol is Cn1nnc(CO)c1Cc1ccc(F)cc1.
What is the InChIKey of [5-[(4-fluorophenyl)methyl]-1-methyltriazol-4-yl]methanol?
The InChIKey is JKNFPLPKFSLOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O/c1-15-11(10(7-16)13-14-15)6-8-2-4-9(12)5-3-8/h2-5,16H,6-7H2,1H3.
What are the key properties of [5-[(4-fluorophenyl)methyl]-1-methyltriazol-4-yl]methanol?
[5-[(4-fluorophenyl)methyl]-1-methyltriazol-4-yl]methanol has a molecular weight of 221.24 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-fluorophenyl)methyl]-1-methyltriazol-4-yl]methanol is sourced from PubChem (CID 82207725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).