1-[2-(4-chlorophenoxy)ethyl]-5-cyclopropyltriazol-4-amine

C13H15ClN4O — CID 79548359

IUPAC1-[2-(4-chlorophenoxy)ethyl]-5-cyclopropyltriazol-4-amine
SMILESNc1nnn(CCOc2ccc(Cl)cc2)c1C1CC1
InChIInChI=1S/C13H15ClN4O/c14-10-3-5-11(6-4-10)19-8-7-18-12(9-1-2-9)13(15)16-17-18/h3-6,9H,1-2,7-8,15H2
InChIKeyLSGXDWKPSXEZNE-UHFFFAOYSA-N
MW278.74 g/mol
LogP2.47
Rot. Bonds5

About 1-[2-(4-chlorophenoxy)ethyl]-5-cyclopropyltriazol-4-amine

1-[2-(4-chlorophenoxy)ethyl]-5-cyclopropyltriazol-4-amine (PubChem CID 79548359) has the molecular formula C13H15ClN4O and a molecular weight of 278.74 g/mol. Its IUPAC name is 1-[2-(4-chlorophenoxy)ethyl]-5-cyclopropyltriazol-4-amine.

Molecular Properties

Compound Name1-[2-(4-chlorophenoxy)ethyl]-5-cyclopropyltriazol-4-amine
PubChem CID79548359
Molecular FormulaC13H15ClN4O
Molecular Weight278.74 g/mol
Exact Mass278.09
IUPAC Name1-[2-(4-chlorophenoxy)ethyl]-5-cyclopropyltriazol-4-amine
SMILESNc1nnn(CCOc2ccc(Cl)cc2)c1C1CC1
InChIInChI=1S/C13H15ClN4O/c14-10-3-5-11(6-4-10)19-8-7-18-12(9-1-2-9)13(15)16-17-18/h3-6,9H,1-2,7-8,15H2
InChIKeyLSGXDWKPSXEZNE-UHFFFAOYSA-N
XLogP2.47
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenoxy)ethyl]-5-cyclopropyltriazol-4-amine?
The IUPAC name of 1-[2-(4-chlorophenoxy)ethyl]-5-cyclopropyltriazol-4-amine (CID 79548359) is 1-[2-(4-chlorophenoxy)ethyl]-5-cyclopropyltriazol-4-amine.
What is the SMILES notation for 1-[2-(4-chlorophenoxy)ethyl]-5-cyclopropyltriazol-4-amine?
The canonical SMILES for 1-[2-(4-chlorophenoxy)ethyl]-5-cyclopropyltriazol-4-amine is Nc1nnn(CCOc2ccc(Cl)cc2)c1C1CC1.
What is the InChIKey of 1-[2-(4-chlorophenoxy)ethyl]-5-cyclopropyltriazol-4-amine?
The InChIKey is LSGXDWKPSXEZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O/c14-10-3-5-11(6-4-10)19-8-7-18-12(9-1-2-9)13(15)16-17-18/h3-6,9H,1-2,7-8,15H2.
What are the key properties of 1-[2-(4-chlorophenoxy)ethyl]-5-cyclopropyltriazol-4-amine?
1-[2-(4-chlorophenoxy)ethyl]-5-cyclopropyltriazol-4-amine has a molecular weight of 278.74 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenoxy)ethyl]-5-cyclopropyltriazol-4-amine is sourced from PubChem (CID 79548359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).