1-(2-methyloxolan-3-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol

C12H21N3O2 — CID 115816524

IUPAC1-(2-methyloxolan-3-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol
SMILESCCCn1ncnc1CC(O)C1CCOC1C
InChIInChI=1S/C12H21N3O2/c1-3-5-15-12(13-8-14-15)7-11(16)10-4-6-17-9(10)2/h8-11,16H,3-7H2,1-2H3
InChIKeySBHZTBFZRXXOEE-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.02
Rot. Bonds5

About 1-(2-methyloxolan-3-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol

1-(2-methyloxolan-3-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol (PubChem CID 115816524) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-(2-methyloxolan-3-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol.

Molecular Properties

Compound Name1-(2-methyloxolan-3-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol
PubChem CID115816524
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name1-(2-methyloxolan-3-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol
SMILESCCCn1ncnc1CC(O)C1CCOC1C
InChIInChI=1S/C12H21N3O2/c1-3-5-15-12(13-8-14-15)7-11(16)10-4-6-17-9(10)2/h8-11,16H,3-7H2,1-2H3
InChIKeySBHZTBFZRXXOEE-UHFFFAOYSA-N
XLogP1.02
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-piperidin-2-yl-2-(2-propyl-1,2,4-triazol-3-yl)ethanol
CID 106634605
1-(2-methyloxolan-3-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 104997936
1-(2-methyloxolan-3-yl)-2-(1-methylpyrazol-4-yl)ethanol
CID 115780326
2-cyclopentyl-3-(2-propyl-1,2,4-triazol-3-yl)propan-1-ol
CID 112570348
3-propyl-1-(2-propyl-1,2,4-triazol-3-yl)hexan-2-ol
CID 115816584
2-(1-methylbenzimidazol-2-yl)-1-(2-methyloxolan-3-yl)ethanol
CID 115818385
2-(2-ethyl-1,2,4-triazol-3-yl)-1-(4-propylmorpholin-2-yl)ethanol
CID 79669792
1-(2-propyl-1,2,4-triazol-3-yl)undecan-2-ol
CID 115816507
5-(3-chloro-2-cyclopentylpropyl)-1-propyl-1,2,4-triazole
CID 112570463
1-(5-methylpyrazin-2-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol
CID 105109766
1-cyclooctyl-N-methyl-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine
CID 80604052
[1-(oxan-2-yl)-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
CID 105267514

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyloxolan-3-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol?
The IUPAC name of 1-(2-methyloxolan-3-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol (CID 115816524) is 1-(2-methyloxolan-3-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol.
What is the SMILES notation for 1-(2-methyloxolan-3-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol?
The canonical SMILES for 1-(2-methyloxolan-3-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol is CCCn1ncnc1CC(O)C1CCOC1C.
What is the InChIKey of 1-(2-methyloxolan-3-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol?
The InChIKey is SBHZTBFZRXXOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-3-5-15-12(13-8-14-15)7-11(16)10-4-6-17-9(10)2/h8-11,16H,3-7H2,1-2H3.
What are the key properties of 1-(2-methyloxolan-3-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol?
1-(2-methyloxolan-3-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol has a molecular weight of 239.32 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyloxolan-3-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol is sourced from PubChem (CID 115816524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).