1-[1-(2-fluoro-3-methylphenyl)triazol-4-yl]propan-2-ol

C12H14FN3O — CID 139020849

IUPAC1-[1-(2-fluoro-3-methylphenyl)triazol-4-yl]propan-2-ol
SMILESCc1cccc(-n2cc(CC(C)O)nn2)c1F
InChIInChI=1S/C12H14FN3O/c1-8-4-3-5-11(12(8)13)16-7-10(14-15-16)6-9(2)17/h3-5,7,9,17H,6H2,1-2H3
InChIKeyYSVMAQOCBGEOTB-UHFFFAOYSA-N
MW235.26 g/mol
LogP1.64
Rot. Bonds3

About 1-[1-(2-fluoro-3-methylphenyl)triazol-4-yl]propan-2-ol

1-[1-(2-fluoro-3-methylphenyl)triazol-4-yl]propan-2-ol (PubChem CID 139020849) has the molecular formula C12H14FN3O and a molecular weight of 235.26 g/mol. Its IUPAC name is 1-[1-(2-fluoro-3-methylphenyl)triazol-4-yl]propan-2-ol.

Molecular Properties

Compound Name1-[1-(2-fluoro-3-methylphenyl)triazol-4-yl]propan-2-ol
PubChem CID139020849
Molecular FormulaC12H14FN3O
Molecular Weight235.26 g/mol
Exact Mass235.11
IUPAC Name1-[1-(2-fluoro-3-methylphenyl)triazol-4-yl]propan-2-ol
SMILESCc1cccc(-n2cc(CC(C)O)nn2)c1F
InChIInChI=1S/C12H14FN3O/c1-8-4-3-5-11(12(8)13)16-7-10(14-15-16)6-9(2)17/h3-5,7,9,17H,6H2,1-2H3
InChIKeyYSVMAQOCBGEOTB-UHFFFAOYSA-N
XLogP1.64
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 ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(2-chlorophenyl)triazol-4-yl]propan-2-ol
CID 117167437
1-[1-(2-fluoro-3-methylphenyl)triazol-4-yl]-N-methylmethanamine
CID 165477311
1-[1-(2-methylphenyl)triazol-4-yl]propan-2-amine
CID 117167503
1-[1-(3-bromophenyl)triazol-4-yl]propan-2-ol
CID 117167563
ethyl 1-(2-fluoro-3-methylphenyl)triazole-4-carboxylate
CID 165488851
2-amino-3-[1-(2,3-dimethylphenyl)triazol-4-yl]propanoic acid
CID 116734767
4-(chloromethyl)-1-(2-chloro-3-methylphenyl)triazole
CID 130495737
3-[1-(2,3-difluorophenyl)triazol-4-yl]-2,2-dimethylpropan-1-ol
CID 139019704
4-(bromomethyl)-1-(2-methylphenyl)triazole
CID 62401939
N-methyl-1-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]propan-2-amine
CID 117167498
N-[[1-(2,3-difluorophenyl)triazol-4-yl]methyl]propan-1-amine
CID 66207319
[1-(2-propan-2-ylphenyl)triazol-4-yl]methanol
CID 62400894

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-fluoro-3-methylphenyl)triazol-4-yl]propan-2-ol?
The IUPAC name of 1-[1-(2-fluoro-3-methylphenyl)triazol-4-yl]propan-2-ol (CID 139020849) is 1-[1-(2-fluoro-3-methylphenyl)triazol-4-yl]propan-2-ol.
What is the SMILES notation for 1-[1-(2-fluoro-3-methylphenyl)triazol-4-yl]propan-2-ol?
The canonical SMILES for 1-[1-(2-fluoro-3-methylphenyl)triazol-4-yl]propan-2-ol is Cc1cccc(-n2cc(CC(C)O)nn2)c1F.
What is the InChIKey of 1-[1-(2-fluoro-3-methylphenyl)triazol-4-yl]propan-2-ol?
The InChIKey is YSVMAQOCBGEOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O/c1-8-4-3-5-11(12(8)13)16-7-10(14-15-16)6-9(2)17/h3-5,7,9,17H,6H2,1-2H3.
What are the key properties of 1-[1-(2-fluoro-3-methylphenyl)triazol-4-yl]propan-2-ol?
1-[1-(2-fluoro-3-methylphenyl)triazol-4-yl]propan-2-ol has a molecular weight of 235.26 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-fluoro-3-methylphenyl)triazol-4-yl]propan-2-ol is sourced from PubChem (CID 139020849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).