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

C12H21N3O2 — CID 115812625

IUPAC2-(2-methyl-1,2,4-triazol-3-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol
SMILESCC1OC(C)C(C(O)Cc2ncnn2C)C1C
InChIInChI=1S/C12H21N3O2/c1-7-8(2)17-9(3)12(7)10(16)5-11-13-6-14-15(11)4/h6-10,12,16H,5H2,1-4H3
InChIKeyQAUFHMSGCPKMMF-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.78
Rot. Bonds3

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

2-(2-methyl-1,2,4-triazol-3-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol (PubChem CID 115812625) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-(2-methyl-1,2,4-triazol-3-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol.

Molecular Properties

Compound Name2-(2-methyl-1,2,4-triazol-3-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol
PubChem CID115812625
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name2-(2-methyl-1,2,4-triazol-3-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol
SMILESCC1OC(C)C(C(O)Cc2ncnn2C)C1C
InChIInChI=1S/C12H21N3O2/c1-7-8(2)17-9(3)12(7)10(16)5-11-13-6-14-15(11)4/h6-10,12,16H,5H2,1-4H3
InChIKeyQAUFHMSGCPKMMF-UHFFFAOYSA-N
XLogP0.78
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,3-thiazol-2-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol
CID 115822495
2-(2-propyl-1,2,4-triazol-3-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine
CID 105003253
1,1-difluoro-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-ol
CID 112575472
N-[2-(2-ethyl-1,2,4-triazol-3-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethyl]propan-1-amine
CID 105002168
1-(2-methyloxolan-3-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 104997936
2-fluoro-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine
CID 112562610
1-chloro-1,1-difluoro-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-ol
CID 112575167
1-(2-methyl-1,2,4-triazol-3-yl)-3-propan-2-yloxypropan-2-ol
CID 105107171
1-(2-methyloxolan-3-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol
CID 115816524
3-(diethylamino)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-ol
CID 79064254
1-(2-methyl-1,2,4-triazol-3-yl)-3-propylhexan-2-amine
CID 104997891
1-(1-methoxy-3-methylcyclohexyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol
CID 116754998

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,2,4-triazol-3-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol?
The IUPAC name of 2-(2-methyl-1,2,4-triazol-3-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol (CID 115812625) is 2-(2-methyl-1,2,4-triazol-3-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol.
What is the SMILES notation for 2-(2-methyl-1,2,4-triazol-3-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol?
The canonical SMILES for 2-(2-methyl-1,2,4-triazol-3-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol is CC1OC(C)C(C(O)Cc2ncnn2C)C1C.
What is the InChIKey of 2-(2-methyl-1,2,4-triazol-3-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol?
The InChIKey is QAUFHMSGCPKMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-7-8(2)17-9(3)12(7)10(16)5-11-13-6-14-15(11)4/h6-10,12,16H,5H2,1-4H3.
What are the key properties of 2-(2-methyl-1,2,4-triazol-3-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol?
2-(2-methyl-1,2,4-triazol-3-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol has a molecular weight of 239.32 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,2,4-triazol-3-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol is sourced from PubChem (CID 115812625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).