[4-tert-butyl-5-(2-methoxypropan-2-yl)-1,2,4-triazol-3-yl]methanol

C11H21N3O2 — CID 103022870

IUPAC[4-tert-butyl-5-(2-methoxypropan-2-yl)-1,2,4-triazol-3-yl]methanol
SMILESCOC(C)(C)c1nnc(CO)n1C(C)(C)C
InChIInChI=1S/C11H21N3O2/c1-10(2,3)14-8(7-15)12-13-9(14)11(4,5)16-6/h15H,7H2,1-6H3
InChIKeyODJQNYBNORHHHW-UHFFFAOYSA-N
MW227.31 g/mol
LogP1.41
Rot. Bonds3

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

[4-tert-butyl-5-(2-methoxypropan-2-yl)-1,2,4-triazol-3-yl]methanol (PubChem CID 103022870) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is [4-tert-butyl-5-(2-methoxypropan-2-yl)-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[4-tert-butyl-5-(2-methoxypropan-2-yl)-1,2,4-triazol-3-yl]methanol
PubChem CID103022870
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name[4-tert-butyl-5-(2-methoxypropan-2-yl)-1,2,4-triazol-3-yl]methanol
SMILESCOC(C)(C)c1nnc(CO)n1C(C)(C)C
InChIInChI=1S/C11H21N3O2/c1-10(2,3)14-8(7-15)12-13-9(14)11(4,5)16-6/h15H,7H2,1-6H3
InChIKeyODJQNYBNORHHHW-UHFFFAOYSA-N
XLogP1.41
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-Tert-butyl-5-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-triazol-3-yl]methanol
CID 103213635
[4-Tert-butyl-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazol-3-yl]methanol
CID 103213636
[4-Tert-butyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-triazol-3-yl]methanol
CID 103311291
[4-Tert-butyl-5-(3,3,3-trifluoropropyl)-1,2,4-triazol-3-yl]methanol
CID 113301612
[4-Tert-butyl-5-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazol-3-yl]methanol
CID 113789055
[4-Tert-butyl-5-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]methanol
CID 115396432
[4-Tert-butyl-5-(1,1,2,2,2-pentafluoroethyl)-1,2,4-triazol-3-yl]methanol
CID 115396445
[4-Tert-butyl-5-(1,1,2,2-tetrafluoroethyl)-1,2,4-triazol-3-yl]methanol
CID 115396579
(4-Tert-butyl-5-methyl-1,2,4-triazol-3-yl)methanol
CID 115396472
4-Tert-butyl-3-(1,4-dioxan-2-yl)-5-methyl-1,2,4-triazole
CID 145397129
3-(2-Methoxypropan-2-yl)-4,5-dimethyl-1,2,4-triazole
CID 156225503
2-(5-Ethyl-4-propan-2-yl-1,2,4-triazol-3-yl)propan-2-ol
CID 171659714

Frequently Asked Questions

What is the IUPAC name of [4-tert-butyl-5-(2-methoxypropan-2-yl)-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [4-tert-butyl-5-(2-methoxypropan-2-yl)-1,2,4-triazol-3-yl]methanol (CID 103022870) is [4-tert-butyl-5-(2-methoxypropan-2-yl)-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [4-tert-butyl-5-(2-methoxypropan-2-yl)-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [4-tert-butyl-5-(2-methoxypropan-2-yl)-1,2,4-triazol-3-yl]methanol is COC(C)(C)c1nnc(CO)n1C(C)(C)C.
What is the InChIKey of [4-tert-butyl-5-(2-methoxypropan-2-yl)-1,2,4-triazol-3-yl]methanol?
The InChIKey is ODJQNYBNORHHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-10(2,3)14-8(7-15)12-13-9(14)11(4,5)16-6/h15H,7H2,1-6H3.
What are the key properties of [4-tert-butyl-5-(2-methoxypropan-2-yl)-1,2,4-triazol-3-yl]methanol?
[4-tert-butyl-5-(2-methoxypropan-2-yl)-1,2,4-triazol-3-yl]methanol has a molecular weight of 227.31 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-tert-butyl-5-(2-methoxypropan-2-yl)-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 103022870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).