(2-fluoro-5-methylphenyl)-(1H-1,2,4-triazol-5-yl)methanol

C10H10FN3O — CID 65362653

IUPAC(2-fluoro-5-methylphenyl)-(1H-1,2,4-triazol-5-yl)methanol
SMILESCc1ccc(F)c(C(O)c2ncn[nH]2)c1
InChIInChI=1S/C10H10FN3O/c1-6-2-3-8(11)7(4-6)9(15)10-12-5-13-14-10/h2-5,9,15H,1H3,(H,12,13,14)
InChIKeyMTQUAKGHKQVNHF-UHFFFAOYSA-N
MW207.21 g/mol
LogP1.33
Rot. Bonds2

About (2-fluoro-5-methylphenyl)-(1H-1,2,4-triazol-5-yl)methanol

(2-fluoro-5-methylphenyl)-(1H-1,2,4-triazol-5-yl)methanol (PubChem CID 65362653) has the molecular formula C10H10FN3O and a molecular weight of 207.21 g/mol. Its IUPAC name is (2-fluoro-5-methylphenyl)-(1H-1,2,4-triazol-5-yl)methanol.

Molecular Properties

Compound Name(2-fluoro-5-methylphenyl)-(1H-1,2,4-triazol-5-yl)methanol
PubChem CID65362653
Molecular FormulaC10H10FN3O
Molecular Weight207.21 g/mol
Exact Mass207.08
IUPAC Name(2-fluoro-5-methylphenyl)-(1H-1,2,4-triazol-5-yl)methanol
SMILESCc1ccc(F)c(C(O)c2ncn[nH]2)c1
InChIInChI=1S/C10H10FN3O/c1-6-2-3-8(11)7(4-6)9(15)10-12-5-13-14-10/h2-5,9,15H,1H3,(H,12,13,14)
InChIKeyMTQUAKGHKQVNHF-UHFFFAOYSA-N
XLogP1.33
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.21
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

alpha-Phenyl-1H-1,2,4-triazole-5-methanol
CID 3399691
8-fluoro-8-methyl-1-phenyl-5-(1H-1,2,4-triazol-5-yl)nonan-3-ol
CID 23067698
[(2S)-2-(2,4-difluorophenyl)-2-hydroxy-3-(1H-1,2,4-triazol-5-yl)propyl] methanesulfonate
CID 54284508
[(2R)-2-(2,4-difluorophenyl)-2-hydroxy-3-(1H-1,2,4-triazol-5-yl)propyl] methanesulfonate
CID 54284509
1-(2-fluorophenyl)-1-(4-fluorophenyl)-2-(1H-1,2,4-triazol-5-yl)ethanol
CID 54291226
2-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-5-yl)butan-2-yl]sulfanylpropane-1,3-diol
CID 54332915
(4S)-4-(2,4-difluorophenyl)-2-(hydroxymethyl)-5-(1H-1,2,4-triazol-5-yl)pentane-1,4-diol
CID 54453600
3-(2,4-difluorophenyl)-2,2-difluoro-3-hydroxy-4-(1H-1,2,4-triazol-5-yl)butanethioamide
CID 56995282
3-(2,4-difluorophenyl)-2,2-difluoro-3-hydroxy-4-(1H-1,2,4-triazol-5-yl)butanimidamide
CID 56995722
2-(2,4-difluorophenyl)-3,3-dimethyl-4-(1,1,2,2-tetrafluoroethoxy)-1-(1H-1,2,4-triazol-5-yl)butan-2-ol
CID 57006277
5-[[2-(2,4-difluorophenyl)-3-methyloxiran-2-yl]methyl]-1H-1,2,4-triazole
CID 57020147
2-(4-fluorophenyl)-1-(1H-1,2,4-triazol-5-yl)-3-[4-(trifluoromethyl)phenyl]but-3-en-2-ol
CID 57053903

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-5-methylphenyl)-(1H-1,2,4-triazol-5-yl)methanol?
The IUPAC name of (2-fluoro-5-methylphenyl)-(1H-1,2,4-triazol-5-yl)methanol (CID 65362653) is (2-fluoro-5-methylphenyl)-(1H-1,2,4-triazol-5-yl)methanol.
What is the SMILES notation for (2-fluoro-5-methylphenyl)-(1H-1,2,4-triazol-5-yl)methanol?
The canonical SMILES for (2-fluoro-5-methylphenyl)-(1H-1,2,4-triazol-5-yl)methanol is Cc1ccc(F)c(C(O)c2ncn[nH]2)c1.
What is the InChIKey of (2-fluoro-5-methylphenyl)-(1H-1,2,4-triazol-5-yl)methanol?
The InChIKey is MTQUAKGHKQVNHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O/c1-6-2-3-8(11)7(4-6)9(15)10-12-5-13-14-10/h2-5,9,15H,1H3,(H,12,13,14).
What are the key properties of (2-fluoro-5-methylphenyl)-(1H-1,2,4-triazol-5-yl)methanol?
(2-fluoro-5-methylphenyl)-(1H-1,2,4-triazol-5-yl)methanol has a molecular weight of 207.21 g/mol, XLogP of 1.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-5-methylphenyl)-(1H-1,2,4-triazol-5-yl)methanol is sourced from PubChem (CID 65362653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).