[1-(3-methylphenyl)-5-(oxolan-2-yl)triazol-4-yl]methanol

C14H17N3O2 — CID 82197956

IUPAC[1-(3-methylphenyl)-5-(oxolan-2-yl)triazol-4-yl]methanol
SMILESCc1cccc(-n2nnc(CO)c2C2CCCO2)c1
InChIInChI=1S/C14H17N3O2/c1-10-4-2-5-11(8-10)17-14(12(9-18)15-16-17)13-6-3-7-19-13/h2,4-5,8,13,18H,3,6-7,9H2,1H3
InChIKeyHLHFPLULKITZLN-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.92
Rot. Bonds3

About [1-(3-methylphenyl)-5-(oxolan-2-yl)triazol-4-yl]methanol

[1-(3-methylphenyl)-5-(oxolan-2-yl)triazol-4-yl]methanol (PubChem CID 82197956) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is [1-(3-methylphenyl)-5-(oxolan-2-yl)triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(3-methylphenyl)-5-(oxolan-2-yl)triazol-4-yl]methanol
PubChem CID82197956
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name[1-(3-methylphenyl)-5-(oxolan-2-yl)triazol-4-yl]methanol
SMILESCc1cccc(-n2nnc(CO)c2C2CCCO2)c1
InChIInChI=1S/C14H17N3O2/c1-10-4-2-5-11(8-10)17-14(12(9-18)15-16-17)13-6-3-7-19-13/h2,4-5,8,13,18H,3,6-7,9H2,1H3
InChIKeyHLHFPLULKITZLN-UHFFFAOYSA-N
XLogP1.92
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(3-fluorophenyl)-5-(oxolan-2-yl)triazol-4-yl]methanol
CID 82197026
[1-(3-chlorophenyl)-5-(oxolan-2-yl)triazol-4-yl]methanol
CID 82200344
methyl 3-[4-(hydroxymethyl)-5-(oxolan-2-yl)triazol-1-yl]benzoate
CID 82200566
1-(3-methylphenyl)-5-(oxolan-2-yl)triazole-4-carboxylic acid
CID 82201222
[1-(3-methoxyphenyl)-5-(oxolan-2-yl)triazol-4-yl]methanamine
CID 82197241
[1-[(4-methylphenyl)methyl]-5-(oxolan-2-yl)triazol-4-yl]methanol
CID 82203204
[5-(oxolan-2-yl)-1-(1,3-thiazol-2-yl)triazol-4-yl]methanol
CID 82220800
5-cyclobutyl-1-(3-methylphenyl)triazol-4-amine
CID 105485940
4-[4-(aminomethyl)-5-(oxolan-2-yl)triazol-1-yl]-N,N-dimethylaniline
CID 82199693
[5-(4-methoxyphenyl)-1-(3-methylphenyl)triazol-4-yl]methanol
CID 56769366
[5-(3-chlorophenyl)-1-(3-methylphenyl)triazol-4-yl]methanol
CID 56769387
[1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(oxolan-2-yl)triazol-4-yl]methanamine
CID 82221381

Frequently Asked Questions

What is the IUPAC name of [1-(3-methylphenyl)-5-(oxolan-2-yl)triazol-4-yl]methanol?
The IUPAC name of [1-(3-methylphenyl)-5-(oxolan-2-yl)triazol-4-yl]methanol (CID 82197956) is [1-(3-methylphenyl)-5-(oxolan-2-yl)triazol-4-yl]methanol.
What is the SMILES notation for [1-(3-methylphenyl)-5-(oxolan-2-yl)triazol-4-yl]methanol?
The canonical SMILES for [1-(3-methylphenyl)-5-(oxolan-2-yl)triazol-4-yl]methanol is Cc1cccc(-n2nnc(CO)c2C2CCCO2)c1.
What is the InChIKey of [1-(3-methylphenyl)-5-(oxolan-2-yl)triazol-4-yl]methanol?
The InChIKey is HLHFPLULKITZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-10-4-2-5-11(8-10)17-14(12(9-18)15-16-17)13-6-3-7-19-13/h2,4-5,8,13,18H,3,6-7,9H2,1H3.
What are the key properties of [1-(3-methylphenyl)-5-(oxolan-2-yl)triazol-4-yl]methanol?
[1-(3-methylphenyl)-5-(oxolan-2-yl)triazol-4-yl]methanol has a molecular weight of 259.31 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methylphenyl)-5-(oxolan-2-yl)triazol-4-yl]methanol is sourced from PubChem (CID 82197956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).