1-[1-[2-(oxan-2-yloxy)ethyl]triazol-4-yl]propan-1-ol

C12H21N3O3 — CID 113482722

IUPAC1-[1-[2-(oxan-2-yloxy)ethyl]triazol-4-yl]propan-1-ol
SMILESCCC(O)c1cn(CCOC2CCCCO2)nn1
InChIInChI=1S/C12H21N3O3/c1-2-11(16)10-9-15(14-13-10)6-8-18-12-5-3-4-7-17-12/h9,11-12,16H,2-8H2,1H3
InChIKeyNASHHTTWKJNIJH-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.26
Rot. Bonds6

About 1-[1-[2-(oxan-2-yloxy)ethyl]triazol-4-yl]propan-1-ol

1-[1-[2-(oxan-2-yloxy)ethyl]triazol-4-yl]propan-1-ol (PubChem CID 113482722) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-[1-[2-(oxan-2-yloxy)ethyl]triazol-4-yl]propan-1-ol.

Molecular Properties

Compound Name1-[1-[2-(oxan-2-yloxy)ethyl]triazol-4-yl]propan-1-ol
PubChem CID113482722
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Name1-[1-[2-(oxan-2-yloxy)ethyl]triazol-4-yl]propan-1-ol
SMILESCCC(O)c1cn(CCOC2CCCCO2)nn1
InChIInChI=1S/C12H21N3O3/c1-2-11(16)10-9-15(14-13-10)6-8-18-12-5-3-4-7-17-12/h9,11-12,16H,2-8H2,1H3
InChIKeyNASHHTTWKJNIJH-UHFFFAOYSA-N
XLogP1.26
TPSA69.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[1-[2-(oxan-2-yloxy)ethyl]triazol-4-yl]propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(diethoxymethyl)-1-[2-(oxan-2-yloxy)ethyl]triazole
CID 66215547
2-methyl-N-[[1-[2-(oxan-2-yloxy)ethyl]triazol-4-yl]methyl]propan-2-amine
CID 66191878
N-[[4-[1-[2-(oxan-2-yloxy)ethyl]triazol-4-yl]phenyl]methyl]propan-2-amine
CID 153349678
1-[2-(oxan-2-yloxy)ethyl]pyrazole-4-carboxylic acid
CID 22064747
4-chloro-1-[2-[(2S)-oxan-2-yl]oxyethyl]pyrazole
CID 99799549
N-[[4-[1-[2-(oxan-2-yloxy)ethyl]triazol-4-yl]cyclohexa-1,5-dien-1-yl]methyl]propan-2-amine
CID 170704891
cyclopropyl-[4-iodo-1-[2-(oxan-2-yloxy)ethyl]imidazol-2-yl]methanol
CID 169042452
ethyl 1-[2-(oxan-2-yloxy)ethyl]-3-propan-2-ylpyrazole-5-carboxylate
CID 59984579
1-[2-(oxan-2-yloxy)ethyl]-3-propan-2-ylpyrazole-5-carboxylic acid
CID 59984584
(3-hydroxy-2,3-dimethylbutan-2-yl)oxy-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]borinic acid
CID 45382218
4-bromo-1-[2-[(2R)-oxan-2-yl]oxyethyl]imidazole
CID 129379720
5-tert-butyl-1-[2-(oxan-2-yloxy)ethyl]triazol-4-amine
CID 79547917

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(oxan-2-yloxy)ethyl]triazol-4-yl]propan-1-ol?
The IUPAC name of 1-[1-[2-(oxan-2-yloxy)ethyl]triazol-4-yl]propan-1-ol (CID 113482722) is 1-[1-[2-(oxan-2-yloxy)ethyl]triazol-4-yl]propan-1-ol.
What is the SMILES notation for 1-[1-[2-(oxan-2-yloxy)ethyl]triazol-4-yl]propan-1-ol?
The canonical SMILES for 1-[1-[2-(oxan-2-yloxy)ethyl]triazol-4-yl]propan-1-ol is CCC(O)c1cn(CCOC2CCCCO2)nn1.
What is the InChIKey of 1-[1-[2-(oxan-2-yloxy)ethyl]triazol-4-yl]propan-1-ol?
The InChIKey is NASHHTTWKJNIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-2-11(16)10-9-15(14-13-10)6-8-18-12-5-3-4-7-17-12/h9,11-12,16H,2-8H2,1H3.
What are the key properties of 1-[1-[2-(oxan-2-yloxy)ethyl]triazol-4-yl]propan-1-ol?
1-[1-[2-(oxan-2-yloxy)ethyl]triazol-4-yl]propan-1-ol has a molecular weight of 255.32 g/mol, XLogP of 1.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(oxan-2-yloxy)ethyl]triazol-4-yl]propan-1-ol is sourced from PubChem (CID 113482722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).