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

C11H21N3O2 — CID 106456465

IUPAC1-[1-[2-(2-methylpropoxy)ethyl]triazol-4-yl]propan-1-ol
SMILESCCC(O)c1cn(CCOCC(C)C)nn1
InChIInChI=1S/C11H21N3O2/c1-4-11(15)10-7-14(13-12-10)5-6-16-8-9(2)3/h7,9,11,15H,4-6,8H2,1-3H3
InChIKeyABBNLNJTSSWEHO-UHFFFAOYSA-N
MW227.31 g/mol
LogP1.39
Rot. Bonds7

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

1-[1-[2-(2-methylpropoxy)ethyl]triazol-4-yl]propan-1-ol (PubChem CID 106456465) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 1-[1-[2-(2-methylpropoxy)ethyl]triazol-4-yl]propan-1-ol.

Molecular Properties

Compound Name1-[1-[2-(2-methylpropoxy)ethyl]triazol-4-yl]propan-1-ol
PubChem CID106456465
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name1-[1-[2-(2-methylpropoxy)ethyl]triazol-4-yl]propan-1-ol
SMILESCCC(O)c1cn(CCOCC(C)C)nn1
InChIInChI=1S/C11H21N3O2/c1-4-11(15)10-7-14(13-12-10)5-6-16-8-9(2)3/h7,9,11,15H,4-6,8H2,1-3H3
InChIKeyABBNLNJTSSWEHO-UHFFFAOYSA-N
XLogP1.39
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[1-[2-(2-methylpropoxy)ethyl]triazol-4-yl]ethanol
CID 106456459
3-methyl-1-(1-propyltriazol-4-yl)butan-1-ol
CID 145288458
1-[1-[2-(oxan-2-yloxy)ethyl]triazol-4-yl]propan-1-ol
CID 113482722
4-(2-chloroethyl)-1-[2-(2-methylpropoxy)ethyl]triazole
CID 106456469
1-[1-[(1-methyltriazol-4-yl)methyl]triazol-4-yl]propan-1-ol
CID 107052776
N-[[1-[2-[2-(2-methylpropoxy)ethoxy]ethyl]triazol-4-yl]methyl]propan-1-amine
CID 106449883
(1R)-1-(1-propyltriazol-4-yl)ethanol
CID 130567201
2-methyl-N-[[1-[2-[2-(2-methylpropoxy)ethoxy]ethyl]triazol-4-yl]methyl]propan-1-amine
CID 106449803
(1-ethyltriazol-4-yl)methanediol
CID 170377100
1-(1-pentyltriazol-4-yl)ethanol
CID 81444188
1-[1-(2-methoxyethyl)triazol-4-yl]ethanamine
CID 114420137
1-[1-(2-phenoxyethyl)triazol-4-yl]ethanol
CID 81444678

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(2-methylpropoxy)ethyl]triazol-4-yl]propan-1-ol?
The IUPAC name of 1-[1-[2-(2-methylpropoxy)ethyl]triazol-4-yl]propan-1-ol (CID 106456465) is 1-[1-[2-(2-methylpropoxy)ethyl]triazol-4-yl]propan-1-ol.
What is the SMILES notation for 1-[1-[2-(2-methylpropoxy)ethyl]triazol-4-yl]propan-1-ol?
The canonical SMILES for 1-[1-[2-(2-methylpropoxy)ethyl]triazol-4-yl]propan-1-ol is CCC(O)c1cn(CCOCC(C)C)nn1.
What is the InChIKey of 1-[1-[2-(2-methylpropoxy)ethyl]triazol-4-yl]propan-1-ol?
The InChIKey is ABBNLNJTSSWEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-4-11(15)10-7-14(13-12-10)5-6-16-8-9(2)3/h7,9,11,15H,4-6,8H2,1-3H3.
What are the key properties of 1-[1-[2-(2-methylpropoxy)ethyl]triazol-4-yl]propan-1-ol?
1-[1-[2-(2-methylpropoxy)ethyl]triazol-4-yl]propan-1-ol has a molecular weight of 227.31 g/mol, XLogP of 1.39, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(2-methylpropoxy)ethyl]triazol-4-yl]propan-1-ol is sourced from PubChem (CID 106456465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).