[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]methanol

C10H10FN3O — CID 79022259

IUPAC[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]methanol
SMILESCn1c(CO)nnc1-c1ccc(F)cc1
InChIInChI=1S/C10H10FN3O/c1-14-9(6-15)12-13-10(14)7-2-4-8(11)5-3-7/h2-5,15H,6H2,1H3
InChIKeyCRJCOEFQLBEIHM-UHFFFAOYSA-N
MW207.21 g/mol
LogP1.11
Rot. Bonds2

About [5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]methanol

[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]methanol (PubChem CID 79022259) has the molecular formula C10H10FN3O and a molecular weight of 207.21 g/mol. Its IUPAC name is [5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]methanol
PubChem CID79022259
Molecular FormulaC10H10FN3O
Molecular Weight207.21 g/mol
Exact Mass207.08
IUPAC Name[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]methanol
SMILESCn1c(CO)nnc1-c1ccc(F)cc1
InChIInChI=1S/C10H10FN3O/c1-14-9(6-15)12-13-10(14)7-2-4-8(11)5-3-7/h2-5,15H,6H2,1H3
InChIKeyCRJCOEFQLBEIHM-UHFFFAOYSA-N
XLogP1.11
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.21
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,2,4-Triazole-3,5-dimethanol, 1-benzyl-
CID 562532
4H-1,2,4-Triazole, 3-methoxy-4-methyl-5-phenyl-
CID 3039312
(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)methanol
CID 11528485
(3-phenyl-1H-1,2,4-triazol-5-yl)methanol
CID 12229858
3-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 2323753
8H-1,2,4-Triazolo(3,4-c)(1,4)oxazine, 5,6-dihydro-3-phenyl-
CID 3060517
4-[(4-{[5-(hydroxymethyl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}piperidin-1-yl)methyl]benzonitrile
CID 70749951
[7-[1-(4-fluorophenyl)propyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methanol
CID 72111223
5-(2-chloro-4-fluorophenyl)-3-(ethoxymethyl)-1-methyl-1H-1,2,4-triazole
CID 72864286
4-[3-[2-[(4-Fluorophenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]propyl]morpholine
CID 72915062
(5-(4-Fluorophenyl)-1H-1,2,4-triazol-3-yl)methanol
CID 79600891
1-[14-(4-Fluorophenyl)-1,8,12,13-tetrazabicyclo[9.3.0]tetradeca-11,13-dien-8-yl]propan-1-one
CID 110201165

Frequently Asked Questions

What is the IUPAC name of [5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]methanol (CID 79022259) is [5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]methanol is Cn1c(CO)nnc1-c1ccc(F)cc1.
What is the InChIKey of [5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]methanol?
The InChIKey is CRJCOEFQLBEIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O/c1-14-9(6-15)12-13-10(14)7-2-4-8(11)5-3-7/h2-5,15H,6H2,1H3.
What are the key properties of [5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]methanol?
[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]methanol has a molecular weight of 207.21 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 79022259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).