(2-ethyl-1,2,4-triazol-3-yl)-(3-fluoro-5-methylphenyl)methanol

C12H14FN3O — CID 112743955

IUPAC(2-ethyl-1,2,4-triazol-3-yl)-(3-fluoro-5-methylphenyl)methanol
SMILESCCn1ncnc1C(O)c1cc(C)cc(F)c1
InChIInChI=1S/C12H14FN3O/c1-3-16-12(14-7-15-16)11(17)9-4-8(2)5-10(13)6-9/h4-7,11,17H,3H2,1-2H3
InChIKeyPNLYKPAWZBZXGN-UHFFFAOYSA-N
MW235.26 g/mol
LogP1.83
Rot. Bonds3

About (2-ethyl-1,2,4-triazol-3-yl)-(3-fluoro-5-methylphenyl)methanol

(2-ethyl-1,2,4-triazol-3-yl)-(3-fluoro-5-methylphenyl)methanol (PubChem CID 112743955) has the molecular formula C12H14FN3O and a molecular weight of 235.26 g/mol. Its IUPAC name is (2-ethyl-1,2,4-triazol-3-yl)-(3-fluoro-5-methylphenyl)methanol.

Molecular Properties

Compound Name(2-ethyl-1,2,4-triazol-3-yl)-(3-fluoro-5-methylphenyl)methanol
PubChem CID112743955
Molecular FormulaC12H14FN3O
Molecular Weight235.26 g/mol
Exact Mass235.11
IUPAC Name(2-ethyl-1,2,4-triazol-3-yl)-(3-fluoro-5-methylphenyl)methanol
SMILESCCn1ncnc1C(O)c1cc(C)cc(F)c1
InChIInChI=1S/C12H14FN3O/c1-3-16-12(14-7-15-16)11(17)9-4-8(2)5-10(13)6-9/h4-7,11,17H,3H2,1-2H3
InChIKeyPNLYKPAWZBZXGN-UHFFFAOYSA-N
XLogP1.83
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chloro-1-propylpyrazol-5-yl)-(3-fluoro-5-methylphenyl)methanol
CID 114645112
(3-ethyl-2-pyridinyl)-(3-fluoro-5-methylphenyl)methanol
CID 82729829
N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-fluoro-5-methylaniline
CID 79054436
(1,5-dimethylpyrazol-4-yl)-(3-fluoro-5-methylphenyl)methanol
CID 79705223
1-(3,5-dimethylphenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanamine
CID 105001811
(3-aminophenyl)-(2-propyl-1,2,4-triazol-3-yl)methanol
CID 112744495
(3-bromo-5-fluorophenyl)-(2-ethylpyrazol-3-yl)methanol
CID 66424235
(4-chloro-1-ethylpyrazol-5-yl)-(3-fluoro-5-methylphenyl)methanamine
CID 114659171
(2,6-difluoro-3-methylphenyl)-(2-ethyl-1,2,4-triazol-3-yl)methanamine
CID 112744204
3-amino-1-(3-fluoro-5-methylphenyl)propan-1-ol
CID 84769044
(3-bromo-5-methylphenyl)-(3,5-difluorophenyl)methanol
CID 115793225
(4-bromo-3,5-dimethylphenyl)-(3-fluoro-5-methylphenyl)methanol
CID 114329914

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-1,2,4-triazol-3-yl)-(3-fluoro-5-methylphenyl)methanol?
The IUPAC name of (2-ethyl-1,2,4-triazol-3-yl)-(3-fluoro-5-methylphenyl)methanol (CID 112743955) is (2-ethyl-1,2,4-triazol-3-yl)-(3-fluoro-5-methylphenyl)methanol.
What is the SMILES notation for (2-ethyl-1,2,4-triazol-3-yl)-(3-fluoro-5-methylphenyl)methanol?
The canonical SMILES for (2-ethyl-1,2,4-triazol-3-yl)-(3-fluoro-5-methylphenyl)methanol is CCn1ncnc1C(O)c1cc(C)cc(F)c1.
What is the InChIKey of (2-ethyl-1,2,4-triazol-3-yl)-(3-fluoro-5-methylphenyl)methanol?
The InChIKey is PNLYKPAWZBZXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O/c1-3-16-12(14-7-15-16)11(17)9-4-8(2)5-10(13)6-9/h4-7,11,17H,3H2,1-2H3.
What are the key properties of (2-ethyl-1,2,4-triazol-3-yl)-(3-fluoro-5-methylphenyl)methanol?
(2-ethyl-1,2,4-triazol-3-yl)-(3-fluoro-5-methylphenyl)methanol has a molecular weight of 235.26 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-1,2,4-triazol-3-yl)-(3-fluoro-5-methylphenyl)methanol is sourced from PubChem (CID 112743955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).