5-[2-(oxolan-2-yl)ethyl]-3-propan-2-yl-1H-1,2,4-triazole

C11H19N3O — CID 65155851

IUPAC5-[2-(oxolan-2-yl)ethyl]-3-propan-2-yl-1H-1,2,4-triazole
SMILESCC(C)c1n[nH]c(CCC2CCCO2)n1
InChIInChI=1S/C11H19N3O/c1-8(2)11-12-10(13-14-11)6-5-9-4-3-7-15-9/h8-9H,3-7H2,1-2H3,(H,12,13,14)
InChIKeyUBOXKRSKBSLFHT-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.04
Rot. Bonds4

About 5-[2-(oxolan-2-yl)ethyl]-3-propan-2-yl-1H-1,2,4-triazole

5-[2-(oxolan-2-yl)ethyl]-3-propan-2-yl-1H-1,2,4-triazole (PubChem CID 65155851) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 5-[2-(oxolan-2-yl)ethyl]-3-propan-2-yl-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-[2-(oxolan-2-yl)ethyl]-3-propan-2-yl-1H-1,2,4-triazole
PubChem CID65155851
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name5-[2-(oxolan-2-yl)ethyl]-3-propan-2-yl-1H-1,2,4-triazole
SMILESCC(C)c1n[nH]c(CCC2CCCO2)n1
InChIInChI=1S/C11H19N3O/c1-8(2)11-12-10(13-14-11)6-5-9-4-3-7-15-9/h8-9H,3-7H2,1-2H3,(H,12,13,14)
InChIKeyUBOXKRSKBSLFHT-UHFFFAOYSA-N
XLogP2.04
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[2-(oxolan-2-yl)ethyl]-3-thiophen-2-yl-1H-1,2,4-triazole
CID 65155343
N-methyl-1-[1-[5-[2-(oxolan-2-yl)ethyl]-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine
CID 102800111
5-[2-(oxolan-2-yl)ethyl]-1,2-dihydro-1,2,4-triazole-3-thione
CID 65155553
6-[5-[2-(oxolan-2-yl)ethyl]-1H-1,2,4-triazol-3-yl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102793612
5-(2-cyclopentylethyl)-3-(oxolan-2-ylmethylsulfonyl)-1H-1,2,4-triazole
CID 126770799
2-[(2R)-oxolan-2-yl]-1-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]ethanone
CID 96511705
1-[5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]propan-1-ol
CID 103096278
(2R)-4-[(2R)-oxolan-2-yl]butan-2-amine
CID 7380763
1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)propan-2-amine
CID 61337752
3-iodo-5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazole
CID 112572494
4-chloro-2-[2-(oxolan-2-yl)ethyl]-1H-benzimidazole
CID 65155499
5,6-dichloro-2-[2-(oxolan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridine
CID 113360918

Frequently Asked Questions

What is the IUPAC name of 5-[2-(oxolan-2-yl)ethyl]-3-propan-2-yl-1H-1,2,4-triazole?
The IUPAC name of 5-[2-(oxolan-2-yl)ethyl]-3-propan-2-yl-1H-1,2,4-triazole (CID 65155851) is 5-[2-(oxolan-2-yl)ethyl]-3-propan-2-yl-1H-1,2,4-triazole.
What is the SMILES notation for 5-[2-(oxolan-2-yl)ethyl]-3-propan-2-yl-1H-1,2,4-triazole?
The canonical SMILES for 5-[2-(oxolan-2-yl)ethyl]-3-propan-2-yl-1H-1,2,4-triazole is CC(C)c1n[nH]c(CCC2CCCO2)n1.
What is the InChIKey of 5-[2-(oxolan-2-yl)ethyl]-3-propan-2-yl-1H-1,2,4-triazole?
The InChIKey is UBOXKRSKBSLFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-8(2)11-12-10(13-14-11)6-5-9-4-3-7-15-9/h8-9H,3-7H2,1-2H3,(H,12,13,14).
What are the key properties of 5-[2-(oxolan-2-yl)ethyl]-3-propan-2-yl-1H-1,2,4-triazole?
5-[2-(oxolan-2-yl)ethyl]-3-propan-2-yl-1H-1,2,4-triazole has a molecular weight of 209.29 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(oxolan-2-yl)ethyl]-3-propan-2-yl-1H-1,2,4-triazole is sourced from PubChem (CID 65155851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).