3-chloro-4-(3-ethoxypropyl)-5-propyl-1,2,4-triazole

C10H18ClN3O — CID 63384292

IUPAC3-chloro-4-(3-ethoxypropyl)-5-propyl-1,2,4-triazole
SMILESCCCc1nnc(Cl)n1CCCOCC
InChIInChI=1S/C10H18ClN3O/c1-3-6-9-12-13-10(11)14(9)7-5-8-15-4-2/h3-8H2,1-2H3
InChIKeyZVJAARBEDBWQEI-UHFFFAOYSA-N
MW231.73 g/mol
LogP2.31
Rot. Bonds7

About 3-chloro-4-(3-ethoxypropyl)-5-propyl-1,2,4-triazole

3-chloro-4-(3-ethoxypropyl)-5-propyl-1,2,4-triazole (PubChem CID 63384292) has the molecular formula C10H18ClN3O and a molecular weight of 231.73 g/mol. Its IUPAC name is 3-chloro-4-(3-ethoxypropyl)-5-propyl-1,2,4-triazole.

Molecular Properties

Compound Name3-chloro-4-(3-ethoxypropyl)-5-propyl-1,2,4-triazole
PubChem CID63384292
Molecular FormulaC10H18ClN3O
Molecular Weight231.73 g/mol
Exact Mass231.11
IUPAC Name3-chloro-4-(3-ethoxypropyl)-5-propyl-1,2,4-triazole
SMILESCCCc1nnc(Cl)n1CCCOCC
InChIInChI=1S/C10H18ClN3O/c1-3-6-9-12-13-10(11)14(9)7-5-8-15-4-2/h3-8H2,1-2H3
InChIKeyZVJAARBEDBWQEI-UHFFFAOYSA-N
XLogP2.31
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 ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-chloro-4-(3-ethoxypropyl)-5-propyl-1,2,4-triazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(3-ethoxypropyl)-5-propyl-1,2,4-triazole?
The IUPAC name of 3-chloro-4-(3-ethoxypropyl)-5-propyl-1,2,4-triazole (CID 63384292) is 3-chloro-4-(3-ethoxypropyl)-5-propyl-1,2,4-triazole.
What is the SMILES notation for 3-chloro-4-(3-ethoxypropyl)-5-propyl-1,2,4-triazole?
The canonical SMILES for 3-chloro-4-(3-ethoxypropyl)-5-propyl-1,2,4-triazole is CCCc1nnc(Cl)n1CCCOCC.
What is the InChIKey of 3-chloro-4-(3-ethoxypropyl)-5-propyl-1,2,4-triazole?
The InChIKey is ZVJAARBEDBWQEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClN3O/c1-3-6-9-12-13-10(11)14(9)7-5-8-15-4-2/h3-8H2,1-2H3.
What are the key properties of 3-chloro-4-(3-ethoxypropyl)-5-propyl-1,2,4-triazole?
3-chloro-4-(3-ethoxypropyl)-5-propyl-1,2,4-triazole has a molecular weight of 231.73 g/mol, XLogP of 2.31, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(3-ethoxypropyl)-5-propyl-1,2,4-triazole is sourced from PubChem (CID 63384292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).