4-(2-chloroethyl)-1-[2-(2-methylpropoxy)ethyl]triazole

C10H18ClN3O — CID 106456469

IUPAC4-(2-chloroethyl)-1-[2-(2-methylpropoxy)ethyl]triazole
SMILESCC(C)COCCn1cc(CCCl)nn1
InChIInChI=1S/C10H18ClN3O/c1-9(2)8-15-6-5-14-7-10(3-4-11)12-13-14/h7,9H,3-6,8H2,1-2H3
InChIKeyZUINPJCIQZNCCZ-UHFFFAOYSA-N
MW231.73 g/mol
LogP1.73
Rot. Bonds7

About 4-(2-chloroethyl)-1-[2-(2-methylpropoxy)ethyl]triazole

4-(2-chloroethyl)-1-[2-(2-methylpropoxy)ethyl]triazole (PubChem CID 106456469) has the molecular formula C10H18ClN3O and a molecular weight of 231.73 g/mol. Its IUPAC name is 4-(2-chloroethyl)-1-[2-(2-methylpropoxy)ethyl]triazole.

Molecular Properties

Compound Name4-(2-chloroethyl)-1-[2-(2-methylpropoxy)ethyl]triazole
PubChem CID106456469
Molecular FormulaC10H18ClN3O
Molecular Weight231.73 g/mol
Exact Mass231.11
IUPAC Name4-(2-chloroethyl)-1-[2-(2-methylpropoxy)ethyl]triazole
SMILESCC(C)COCCn1cc(CCCl)nn1
InChIInChI=1S/C10H18ClN3O/c1-9(2)8-15-6-5-14-7-10(3-4-11)12-13-14/h7,9H,3-6,8H2,1-2H3
InChIKeyZUINPJCIQZNCCZ-UHFFFAOYSA-N
XLogP1.73
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.73
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2-chloroethyl)-1-(2-propan-2-yloxyethyl)triazole
CID 62401226
4-(2-chloroethyl)-1-(2-methoxyethyl)triazole
CID 62400473
2-methyl-N-[[1-[2-[2-(2-methylpropoxy)ethoxy]ethyl]triazol-4-yl]methyl]propan-1-amine
CID 106449803
4-(chloromethyl)-1-[2-(3-methylbutoxy)ethyl]triazole
CID 62400452
N-[[1-[2-[2-(2-methylpropoxy)ethoxy]ethyl]triazol-4-yl]methyl]propan-1-amine
CID 106449883
1-[1-[2-(2-methylpropoxy)ethyl]triazol-4-yl]ethanol
CID 106456459
4-(3,3-dimethylbutyl)-1-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethyl]triazole
CID 170092527
4-(2-methylpropyl)-1-(2-propoxyethyl)triazole
CID 118041077
1-[1-[2-(2-methylpropoxy)ethyl]triazol-4-yl]propan-1-ol
CID 106456465
2-[4-[[3-(2-methylpropoxy)propylamino]methyl]triazol-1-yl]ethanol
CID 66269221
1-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]triazole
CID 174340368
1-[2-[2-(3-methylbutoxy)ethoxy]ethyl]-4-(2-propan-2-yloxyethoxymethyl)triazole
CID 171725793

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloroethyl)-1-[2-(2-methylpropoxy)ethyl]triazole?
The IUPAC name of 4-(2-chloroethyl)-1-[2-(2-methylpropoxy)ethyl]triazole (CID 106456469) is 4-(2-chloroethyl)-1-[2-(2-methylpropoxy)ethyl]triazole.
What is the SMILES notation for 4-(2-chloroethyl)-1-[2-(2-methylpropoxy)ethyl]triazole?
The canonical SMILES for 4-(2-chloroethyl)-1-[2-(2-methylpropoxy)ethyl]triazole is CC(C)COCCn1cc(CCCl)nn1.
What is the InChIKey of 4-(2-chloroethyl)-1-[2-(2-methylpropoxy)ethyl]triazole?
The InChIKey is ZUINPJCIQZNCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClN3O/c1-9(2)8-15-6-5-14-7-10(3-4-11)12-13-14/h7,9H,3-6,8H2,1-2H3.
What are the key properties of 4-(2-chloroethyl)-1-[2-(2-methylpropoxy)ethyl]triazole?
4-(2-chloroethyl)-1-[2-(2-methylpropoxy)ethyl]triazole has a molecular weight of 231.73 g/mol, XLogP of 1.73, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloroethyl)-1-[2-(2-methylpropoxy)ethyl]triazole is sourced from PubChem (CID 106456469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).