[5-(2-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]methanol

C15H21N3O — CID 115396730

IUPAC[5-(2-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]methanol
SMILESCCn1c(CO)nnc1-c1ccccc1C(C)(C)C
InChIInChI=1S/C15H21N3O/c1-5-18-13(10-19)16-17-14(18)11-8-6-7-9-12(11)15(2,3)4/h6-9,19H,5,10H2,1-4H3
InChIKeyUIJLWYUPWQNFDG-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.75
Rot. Bonds3

About [5-(2-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]methanol

[5-(2-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]methanol (PubChem CID 115396730) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is [5-(2-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[5-(2-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]methanol
PubChem CID115396730
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name[5-(2-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]methanol
SMILESCCn1c(CO)nnc1-c1ccccc1C(C)(C)C
InChIInChI=1S/C15H21N3O/c1-5-18-13(10-19)16-17-14(18)11-8-6-7-9-12(11)15(2,3)4/h6-9,19H,5,10H2,1-4H3
InChIKeyUIJLWYUPWQNFDG-UHFFFAOYSA-N
XLogP2.75
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(2-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [5-(2-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]methanol (CID 115396730) is [5-(2-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [5-(2-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [5-(2-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]methanol is CCn1c(CO)nnc1-c1ccccc1C(C)(C)C.
What is the InChIKey of [5-(2-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]methanol?
The InChIKey is UIJLWYUPWQNFDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-5-18-13(10-19)16-17-14(18)11-8-6-7-9-12(11)15(2,3)4/h6-9,19H,5,10H2,1-4H3.
What are the key properties of [5-(2-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]methanol?
[5-(2-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]methanol has a molecular weight of 259.35 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 115396730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).