2-(5-tert-butyl-4-methyl-1,2,4-triazol-3-yl)ethanol

C9H17N3O — CID 129175048

IUPAC2-(5-tert-butyl-4-methyl-1,2,4-triazol-3-yl)ethanol
SMILESCn1c(CCO)nnc1C(C)(C)C
InChIInChI=1S/C9H17N3O/c1-9(2,3)8-11-10-7(5-6-13)12(8)4/h13H,5-6H2,1-4H3
InChIKeySJNINNQAGBSTLM-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.65
Rot. Bonds2

About 2-(5-tert-butyl-4-methyl-1,2,4-triazol-3-yl)ethanol

2-(5-tert-butyl-4-methyl-1,2,4-triazol-3-yl)ethanol (PubChem CID 129175048) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-(5-tert-butyl-4-methyl-1,2,4-triazol-3-yl)ethanol.

Molecular Properties

Compound Name2-(5-tert-butyl-4-methyl-1,2,4-triazol-3-yl)ethanol
PubChem CID129175048
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name2-(5-tert-butyl-4-methyl-1,2,4-triazol-3-yl)ethanol
SMILESCn1c(CCO)nnc1C(C)(C)C
InChIInChI=1S/C9H17N3O/c1-9(2,3)8-11-10-7(5-6-13)12(8)4/h13H,5-6H2,1-4H3
InChIKeySJNINNQAGBSTLM-UHFFFAOYSA-N
XLogP0.65
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(5-tert-butyl-4-methyl-1,2,4-triazol-3-yl)ethanol with MolForge

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Related Compounds

2-(4-methyl-4H-1,2,4-triazol-3-yl)ethan-1-ol
CID 75360918
(5-ethyl-4-methyl-4H-1,2,4-triazol-3-yl)methanol
CID 53613687
(5-methyl-4-propyl-4H-1,2,4-triazol-3-yl)methanol
CID 71757591
3-[(4,5-Dimethyl-1,2,4-triazol-3-yl)methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 111109888
3-[(4-Ethyl-5-methyl-1,2,4-triazol-3-yl)methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 111109931
[5-(2-Fluoropropan-2-yl)-4-methyl-1,2,4-triazol-3-yl]methanol
CID 130561800
2-[5-(Hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]ethanol
CID 86233232
2-(Dimethyl-4H-1,2,4-triazol-3-yl)ethan-1-ol
CID 18726591
4-(3,5-Dimethyl-1,2,4-triazol-4-yl)butanol
CID 19864525
3-(3,5-Dimethyl-1,2,4-triazol-4-yl)propan-1-ol
CID 19930463
3-(3,5-dimethyl-1H-1,2,4-triazol-1-yl)propan-1-ol
CID 46318241
3-Tert-butyl-5-ethyl-4-methyl-1,2,4-triazole
CID 57619175

Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butyl-4-methyl-1,2,4-triazol-3-yl)ethanol?
The IUPAC name of 2-(5-tert-butyl-4-methyl-1,2,4-triazol-3-yl)ethanol (CID 129175048) is 2-(5-tert-butyl-4-methyl-1,2,4-triazol-3-yl)ethanol.
What is the SMILES notation for 2-(5-tert-butyl-4-methyl-1,2,4-triazol-3-yl)ethanol?
The canonical SMILES for 2-(5-tert-butyl-4-methyl-1,2,4-triazol-3-yl)ethanol is Cn1c(CCO)nnc1C(C)(C)C.
What is the InChIKey of 2-(5-tert-butyl-4-methyl-1,2,4-triazol-3-yl)ethanol?
The InChIKey is SJNINNQAGBSTLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-9(2,3)8-11-10-7(5-6-13)12(8)4/h13H,5-6H2,1-4H3.
What are the key properties of 2-(5-tert-butyl-4-methyl-1,2,4-triazol-3-yl)ethanol?
2-(5-tert-butyl-4-methyl-1,2,4-triazol-3-yl)ethanol has a molecular weight of 183.25 g/mol, XLogP of 0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-tert-butyl-4-methyl-1,2,4-triazol-3-yl)ethanol is sourced from PubChem (CID 129175048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).