[1-(2-fluorophenyl)-5-methyltriazol-4-yl]methanediol

C10H10FN3O2 — CID 163437904

IUPAC[1-(2-fluorophenyl)-5-methyltriazol-4-yl]methanediol
SMILESCc1c(C(O)O)nnn1-c1ccccc1F
InChIInChI=1S/C10H10FN3O2/c1-6-9(10(15)16)12-13-14(6)8-5-3-2-4-7(8)11/h2-5,10,15-16H,1H3
InChIKeyAWBKDDNAYIWRLO-UHFFFAOYSA-N
MW223.21 g/mol
LogP0.70
Rot. Bonds2

About [1-(2-fluorophenyl)-5-methyltriazol-4-yl]methanediol

[1-(2-fluorophenyl)-5-methyltriazol-4-yl]methanediol (PubChem CID 163437904) has the molecular formula C10H10FN3O2 and a molecular weight of 223.21 g/mol. Its IUPAC name is [1-(2-fluorophenyl)-5-methyltriazol-4-yl]methanediol.

Molecular Properties

Compound Name[1-(2-fluorophenyl)-5-methyltriazol-4-yl]methanediol
PubChem CID163437904
Molecular FormulaC10H10FN3O2
Molecular Weight223.21 g/mol
Exact Mass223.08
IUPAC Name[1-(2-fluorophenyl)-5-methyltriazol-4-yl]methanediol
SMILESCc1c(C(O)O)nnn1-c1ccccc1F
InChIInChI=1S/C10H10FN3O2/c1-6-9(10(15)16)12-13-14(6)8-5-3-2-4-7(8)11/h2-5,10,15-16H,1H3
InChIKeyAWBKDDNAYIWRLO-UHFFFAOYSA-N
XLogP0.70
TPSA71.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.21
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[1-(2-fluorophenyl)-5-methyltriazol-4-yl]methanol;hydrochloride
CID 155821941
1-(2-fluorophenyl)-5-methyl-N-phenyltriazole-4-carboxamide
CID 2137590
1-[3-(2-fluorophenyl)-5-methyltriazol-4-yl]ethanone
CID 67955069
1-(2-fluorophenyl)-N-methoxy-N,5-dimethyltriazole-4-carboxamide
CID 134518690
1-(2-fluorophenyl)-5-propan-2-yltriazole-4-carbaldehyde
CID 82196457
1-(2-fluorophenyl)-4,5-dimethylpyrazole
CID 21033985
[5-ethyl-1-(2-fluorophenyl)triazol-4-yl]methanol
CID 56686714
1-(3-fluoro-2-methylphenyl)-5-methyltriazol-4-amine
CID 79508411
[5-tert-butyl-1-(2-fluorophenyl)triazol-4-yl]methanol
CID 56686716
5-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 20937970
1-[1-(2-fluorophenyl)tetrazol-5-yl]ethanone
CID 84673857
N-[1-[1-(2-fluoro-5-methylphenyl)-5-methyltriazol-4-yl]ethyl]propan-1-amine
CID 43671334

Frequently Asked Questions

What is the IUPAC name of [1-(2-fluorophenyl)-5-methyltriazol-4-yl]methanediol?
The IUPAC name of [1-(2-fluorophenyl)-5-methyltriazol-4-yl]methanediol (CID 163437904) is [1-(2-fluorophenyl)-5-methyltriazol-4-yl]methanediol.
What is the SMILES notation for [1-(2-fluorophenyl)-5-methyltriazol-4-yl]methanediol?
The canonical SMILES for [1-(2-fluorophenyl)-5-methyltriazol-4-yl]methanediol is Cc1c(C(O)O)nnn1-c1ccccc1F.
What is the InChIKey of [1-(2-fluorophenyl)-5-methyltriazol-4-yl]methanediol?
The InChIKey is AWBKDDNAYIWRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O2/c1-6-9(10(15)16)12-13-14(6)8-5-3-2-4-7(8)11/h2-5,10,15-16H,1H3.
What are the key properties of [1-(2-fluorophenyl)-5-methyltriazol-4-yl]methanediol?
[1-(2-fluorophenyl)-5-methyltriazol-4-yl]methanediol has a molecular weight of 223.21 g/mol, XLogP of 0.70, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-fluorophenyl)-5-methyltriazol-4-yl]methanediol is sourced from PubChem (CID 163437904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).