[1-(3-ethylphenyl)-5-methyltriazol-4-yl]methanol

C12H15N3O — CID 94068870

IUPAC[1-(3-ethylphenyl)-5-methyltriazol-4-yl]methanol
SMILESCCc1cccc(-n2nnc(CO)c2C)c1
InChIInChI=1S/C12H15N3O/c1-3-10-5-4-6-11(7-10)15-9(2)12(8-16)13-14-15/h4-7,16H,3,8H2,1-2H3
InChIKeyZSWPHNBWVYLNES-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.63
Rot. Bonds3

About [1-(3-ethylphenyl)-5-methyltriazol-4-yl]methanol

[1-(3-ethylphenyl)-5-methyltriazol-4-yl]methanol (PubChem CID 94068870) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is [1-(3-ethylphenyl)-5-methyltriazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(3-ethylphenyl)-5-methyltriazol-4-yl]methanol
PubChem CID94068870
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name[1-(3-ethylphenyl)-5-methyltriazol-4-yl]methanol
SMILESCCc1cccc(-n2nnc(CO)c2C)c1
InChIInChI=1S/C12H15N3O/c1-3-10-5-4-6-11(7-10)15-9(2)12(8-16)13-14-15/h4-7,16H,3,8H2,1-2H3
InChIKeyZSWPHNBWVYLNES-UHFFFAOYSA-N
XLogP1.63
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(3-bromo-4-methylphenyl)-5-methyltriazol-4-yl]methanol
CID 82199878
butyl 3-[4-(hydroxymethyl)-5-methyltriazol-1-yl]benzoate
CID 82200494
[1-(4-bromo-3-methylphenyl)-5-methyltriazol-4-yl]methanol
CID 112707778
[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]methanamine
CID 28911796
dimethyl 5-[4-(hydroxymethyl)-5-methyltriazol-1-yl]benzene-1,3-dicarboxylate
CID 82195000
3-[5-methyl-1-(3-methylphenyl)triazol-4-yl]propanoic acid
CID 82198090
N-(2,5-dimethylphenyl)-1-(3-ethylphenyl)-5-methyltriazole-4-carboxamide
CID 22516245
3-[4-(2-carboxyethyl)-5-methyltriazol-1-yl]benzoic acid
CID 82197377
[1-(3-bromophenyl)-5-propan-2-yltriazol-4-yl]methanol
CID 82196981
4-(chloromethyl)-1-(3-fluorophenyl)-5-methyltriazole
CID 56769520
[1-[3-fluoro-4-(methoxymethoxy)phenyl]-5-methyltriazol-4-yl]methanol
CID 163209340
methyl 3-[5-butyl-4-(hydroxymethyl)triazol-1-yl]benzoate
CID 82200548

Frequently Asked Questions

What is the IUPAC name of [1-(3-ethylphenyl)-5-methyltriazol-4-yl]methanol?
The IUPAC name of [1-(3-ethylphenyl)-5-methyltriazol-4-yl]methanol (CID 94068870) is [1-(3-ethylphenyl)-5-methyltriazol-4-yl]methanol.
What is the SMILES notation for [1-(3-ethylphenyl)-5-methyltriazol-4-yl]methanol?
The canonical SMILES for [1-(3-ethylphenyl)-5-methyltriazol-4-yl]methanol is CCc1cccc(-n2nnc(CO)c2C)c1.
What is the InChIKey of [1-(3-ethylphenyl)-5-methyltriazol-4-yl]methanol?
The InChIKey is ZSWPHNBWVYLNES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-3-10-5-4-6-11(7-10)15-9(2)12(8-16)13-14-15/h4-7,16H,3,8H2,1-2H3.
What are the key properties of [1-(3-ethylphenyl)-5-methyltriazol-4-yl]methanol?
[1-(3-ethylphenyl)-5-methyltriazol-4-yl]methanol has a molecular weight of 217.27 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-ethylphenyl)-5-methyltriazol-4-yl]methanol is sourced from PubChem (CID 94068870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).