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

C15H19N3O2 — CID 82203204

IUPAC[1-[(4-methylphenyl)methyl]-5-(oxolan-2-yl)triazol-4-yl]methanol
SMILESCc1ccc(Cn2nnc(CO)c2C2CCCO2)cc1
InChIInChI=1S/C15H19N3O2/c1-11-4-6-12(7-5-11)9-18-15(13(10-19)16-17-18)14-3-2-8-20-14/h4-7,14,19H,2-3,8-10H2,1H3
InChIKeyZWMBMQRAASJTGO-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.98
Rot. Bonds4

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

[1-[(4-methylphenyl)methyl]-5-(oxolan-2-yl)triazol-4-yl]methanol (PubChem CID 82203204) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is [1-[(4-methylphenyl)methyl]-5-(oxolan-2-yl)triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[(4-methylphenyl)methyl]-5-(oxolan-2-yl)triazol-4-yl]methanol
PubChem CID82203204
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name[1-[(4-methylphenyl)methyl]-5-(oxolan-2-yl)triazol-4-yl]methanol
SMILESCc1ccc(Cn2nnc(CO)c2C2CCCO2)cc1
InChIInChI=1S/C15H19N3O2/c1-11-4-6-12(7-5-11)9-18-15(13(10-19)16-17-18)14-3-2-8-20-14/h4-7,14,19H,2-3,8-10H2,1H3
InChIKeyZWMBMQRAASJTGO-UHFFFAOYSA-N
XLogP1.98
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[(4-fluorophenyl)methyl]-5-(oxolan-2-yl)triazol-4-yl]methanol
CID 82203508
[1-[(4-nitrophenyl)methyl]-5-(oxolan-2-yl)triazol-4-yl]methanol
CID 82204146
[1-(3-methylphenyl)-5-(oxolan-2-yl)triazol-4-yl]methanol
CID 82197956
5-(oxolan-2-yl)-1-[(4-propan-2-ylphenyl)methyl]triazole-4-carbonitrile
CID 82204244
[1-[(4-chlorophenyl)methyl]-5-cyclobutyltriazol-4-yl]methanol
CID 82203350
[5-cyclopropyl-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine
CID 82203271
[1-[(4-methylphenyl)methyl]-5-(trifluoromethyl)triazol-4-yl]methanol
CID 82203256
[1-(3-chlorophenyl)-5-(oxolan-2-yl)triazol-4-yl]methanol
CID 82200344
[1-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methanol
CID 82203213
5-cyclopropyl-1-[(4-methylphenyl)methyl]triazol-4-amine
CID 79547585
[1-(3-fluorophenyl)-5-(oxolan-2-yl)triazol-4-yl]methanol
CID 82197026
1-[(3-chlorophenyl)methyl]-5-(oxolan-2-yl)triazole-4-carbaldehyde
CID 82203640

Frequently Asked Questions

What is the IUPAC name of [1-[(4-methylphenyl)methyl]-5-(oxolan-2-yl)triazol-4-yl]methanol?
The IUPAC name of [1-[(4-methylphenyl)methyl]-5-(oxolan-2-yl)triazol-4-yl]methanol (CID 82203204) is [1-[(4-methylphenyl)methyl]-5-(oxolan-2-yl)triazol-4-yl]methanol.
What is the SMILES notation for [1-[(4-methylphenyl)methyl]-5-(oxolan-2-yl)triazol-4-yl]methanol?
The canonical SMILES for [1-[(4-methylphenyl)methyl]-5-(oxolan-2-yl)triazol-4-yl]methanol is Cc1ccc(Cn2nnc(CO)c2C2CCCO2)cc1.
What is the InChIKey of [1-[(4-methylphenyl)methyl]-5-(oxolan-2-yl)triazol-4-yl]methanol?
The InChIKey is ZWMBMQRAASJTGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-11-4-6-12(7-5-11)9-18-15(13(10-19)16-17-18)14-3-2-8-20-14/h4-7,14,19H,2-3,8-10H2,1H3.
What are the key properties of [1-[(4-methylphenyl)methyl]-5-(oxolan-2-yl)triazol-4-yl]methanol?
[1-[(4-methylphenyl)methyl]-5-(oxolan-2-yl)triazol-4-yl]methanol has a molecular weight of 273.34 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-methylphenyl)methyl]-5-(oxolan-2-yl)triazol-4-yl]methanol is sourced from PubChem (CID 82203204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).