4-(2-methoxyethyl)-3-pentyl-1,2,4-triazole

C10H19N3O — CID 115393653

IUPAC4-(2-methoxyethyl)-3-pentyl-1,2,4-triazole
SMILESCCCCCc1nncn1CCOC
InChIInChI=1S/C10H19N3O/c1-3-4-5-6-10-12-11-9-13(10)7-8-14-2/h9H,3-8H2,1-2H3
InChIKeyRPSWNBGWXYDPEA-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.66
Rot. Bonds7

About 4-(2-methoxyethyl)-3-pentyl-1,2,4-triazole

4-(2-methoxyethyl)-3-pentyl-1,2,4-triazole (PubChem CID 115393653) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 4-(2-methoxyethyl)-3-pentyl-1,2,4-triazole.

Molecular Properties

Compound Name4-(2-methoxyethyl)-3-pentyl-1,2,4-triazole
PubChem CID115393653
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name4-(2-methoxyethyl)-3-pentyl-1,2,4-triazole
SMILESCCCCCc1nncn1CCOC
InChIInChI=1S/C10H19N3O/c1-3-4-5-6-10-12-11-9-13(10)7-8-14-2/h9H,3-8H2,1-2H3
InChIKeyRPSWNBGWXYDPEA-UHFFFAOYSA-N
XLogP1.66
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(2-methoxyethyl)-3-pentyl-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 4-(2-methoxyethyl)-3-pentyl-1,2,4-triazole?
The IUPAC name of 4-(2-methoxyethyl)-3-pentyl-1,2,4-triazole (CID 115393653) is 4-(2-methoxyethyl)-3-pentyl-1,2,4-triazole.
What is the SMILES notation for 4-(2-methoxyethyl)-3-pentyl-1,2,4-triazole?
The canonical SMILES for 4-(2-methoxyethyl)-3-pentyl-1,2,4-triazole is CCCCCc1nncn1CCOC.
What is the InChIKey of 4-(2-methoxyethyl)-3-pentyl-1,2,4-triazole?
The InChIKey is RPSWNBGWXYDPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-3-4-5-6-10-12-11-9-13(10)7-8-14-2/h9H,3-8H2,1-2H3.
What are the key properties of 4-(2-methoxyethyl)-3-pentyl-1,2,4-triazole?
4-(2-methoxyethyl)-3-pentyl-1,2,4-triazole has a molecular weight of 197.28 g/mol, XLogP of 1.66, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethyl)-3-pentyl-1,2,4-triazole is sourced from PubChem (CID 115393653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).