[5-tert-butyl-1-(2-ethoxyphenyl)triazol-4-yl]methanol

C15H21N3O2 — CID 82197444

IUPAC[5-tert-butyl-1-(2-ethoxyphenyl)triazol-4-yl]methanol
SMILESCCOc1ccccc1-n1nnc(CO)c1C(C)(C)C
InChIInChI=1S/C15H21N3O2/c1-5-20-13-9-7-6-8-12(13)18-14(15(2,3)4)11(10-19)16-17-18/h6-9,19H,5,10H2,1-4H3
InChIKeyFDWDHRCFMCZXOB-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.46
Rot. Bonds4

About [5-tert-butyl-1-(2-ethoxyphenyl)triazol-4-yl]methanol

[5-tert-butyl-1-(2-ethoxyphenyl)triazol-4-yl]methanol (PubChem CID 82197444) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is [5-tert-butyl-1-(2-ethoxyphenyl)triazol-4-yl]methanol.

Molecular Properties

Compound Name[5-tert-butyl-1-(2-ethoxyphenyl)triazol-4-yl]methanol
PubChem CID82197444
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name[5-tert-butyl-1-(2-ethoxyphenyl)triazol-4-yl]methanol
SMILESCCOc1ccccc1-n1nnc(CO)c1C(C)(C)C
InChIInChI=1S/C15H21N3O2/c1-5-20-13-9-7-6-8-12(13)18-14(15(2,3)4)11(10-19)16-17-18/h6-9,19H,5,10H2,1-4H3
InChIKeyFDWDHRCFMCZXOB-UHFFFAOYSA-N
XLogP2.46
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-tert-butyl-1-(2-fluorophenyl)triazol-4-yl]methanol
CID 56686716
5-tert-butyl-1-(2-ethoxyphenyl)pyrazole-4-carboxylic acid
CID 82361311
[5-benzyl-1-(2-ethoxyphenyl)triazol-4-yl]methanamine
CID 94937910
[1-(4-bromophenyl)-5-tert-butyltriazol-4-yl]methanol
CID 94938695
3-(2-ethoxyphenyl)benzotriazole-5-carboxylic acid
CID 82770773
1-(2-ethoxyphenyl)-5-ethyltriazole-4-carboxylic acid
CID 53335498
1-(2-ethoxyphenyl)-5-propan-2-yltetrazole
CID 68956850
5-cyclobutyl-1-(2-ethoxyphenyl)triazole-4-carboxylic acid
CID 82201408
[1-(2-ethoxyphenyl)-5-pyridin-3-yltriazol-4-yl]methanamine
CID 82197503
[5-methyl-1-(2-propoxyphenyl)triazol-4-yl]methanamine
CID 82199485
4-(chloromethyl)-5-ethyl-1-(2-methoxyphenyl)triazole
CID 56769536
methyl 4-[[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylmethyl]benzoate
CID 2614039

Frequently Asked Questions

What is the IUPAC name of [5-tert-butyl-1-(2-ethoxyphenyl)triazol-4-yl]methanol?
The IUPAC name of [5-tert-butyl-1-(2-ethoxyphenyl)triazol-4-yl]methanol (CID 82197444) is [5-tert-butyl-1-(2-ethoxyphenyl)triazol-4-yl]methanol.
What is the SMILES notation for [5-tert-butyl-1-(2-ethoxyphenyl)triazol-4-yl]methanol?
The canonical SMILES for [5-tert-butyl-1-(2-ethoxyphenyl)triazol-4-yl]methanol is CCOc1ccccc1-n1nnc(CO)c1C(C)(C)C.
What is the InChIKey of [5-tert-butyl-1-(2-ethoxyphenyl)triazol-4-yl]methanol?
The InChIKey is FDWDHRCFMCZXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-5-20-13-9-7-6-8-12(13)18-14(15(2,3)4)11(10-19)16-17-18/h6-9,19H,5,10H2,1-4H3.
What are the key properties of [5-tert-butyl-1-(2-ethoxyphenyl)triazol-4-yl]methanol?
[5-tert-butyl-1-(2-ethoxyphenyl)triazol-4-yl]methanol has a molecular weight of 275.35 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-tert-butyl-1-(2-ethoxyphenyl)triazol-4-yl]methanol is sourced from PubChem (CID 82197444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).