3-chloro-4-[2-(2-methoxyethoxy)ethyl]-5-propyl-1,2,4-triazole

C10H18ClN3O2 — CID 63385510

IUPAC3-chloro-4-[2-(2-methoxyethoxy)ethyl]-5-propyl-1,2,4-triazole
SMILESCCCc1nnc(Cl)n1CCOCCOC
InChIInChI=1S/C10H18ClN3O2/c1-3-4-9-12-13-10(11)14(9)5-6-16-8-7-15-2/h3-8H2,1-2H3
InChIKeyHMNKWIBLYWKSQW-UHFFFAOYSA-N
MW247.73 g/mol
LogP1.55
Rot. Bonds8

About 3-chloro-4-[2-(2-methoxyethoxy)ethyl]-5-propyl-1,2,4-triazole

3-chloro-4-[2-(2-methoxyethoxy)ethyl]-5-propyl-1,2,4-triazole (PubChem CID 63385510) has the molecular formula C10H18ClN3O2 and a molecular weight of 247.73 g/mol. Its IUPAC name is 3-chloro-4-[2-(2-methoxyethoxy)ethyl]-5-propyl-1,2,4-triazole.

Molecular Properties

Compound Name3-chloro-4-[2-(2-methoxyethoxy)ethyl]-5-propyl-1,2,4-triazole
PubChem CID63385510
Molecular FormulaC10H18ClN3O2
Molecular Weight247.73 g/mol
Exact Mass247.11
IUPAC Name3-chloro-4-[2-(2-methoxyethoxy)ethyl]-5-propyl-1,2,4-triazole
SMILESCCCc1nnc(Cl)n1CCOCCOC
InChIInChI=1S/C10H18ClN3O2/c1-3-4-9-12-13-10(11)14(9)5-6-16-8-7-15-2/h3-8H2,1-2H3
InChIKeyHMNKWIBLYWKSQW-UHFFFAOYSA-N
XLogP1.55
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[2-(2-methoxyethoxy)ethyl]-5-propyl-1,2,4-triazole?
The IUPAC name of 3-chloro-4-[2-(2-methoxyethoxy)ethyl]-5-propyl-1,2,4-triazole (CID 63385510) is 3-chloro-4-[2-(2-methoxyethoxy)ethyl]-5-propyl-1,2,4-triazole.
What is the SMILES notation for 3-chloro-4-[2-(2-methoxyethoxy)ethyl]-5-propyl-1,2,4-triazole?
The canonical SMILES for 3-chloro-4-[2-(2-methoxyethoxy)ethyl]-5-propyl-1,2,4-triazole is CCCc1nnc(Cl)n1CCOCCOC.
What is the InChIKey of 3-chloro-4-[2-(2-methoxyethoxy)ethyl]-5-propyl-1,2,4-triazole?
The InChIKey is HMNKWIBLYWKSQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClN3O2/c1-3-4-9-12-13-10(11)14(9)5-6-16-8-7-15-2/h3-8H2,1-2H3.
What are the key properties of 3-chloro-4-[2-(2-methoxyethoxy)ethyl]-5-propyl-1,2,4-triazole?
3-chloro-4-[2-(2-methoxyethoxy)ethyl]-5-propyl-1,2,4-triazole has a molecular weight of 247.73 g/mol, XLogP of 1.55, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[2-(2-methoxyethoxy)ethyl]-5-propyl-1,2,4-triazole is sourced from PubChem (CID 63385510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).