3-[1-(1-ethoxyethoxy)ethyl]-4-methyl-1,5-dihydro-1,2,4-triazole

C9H19N3O2 — CID 151823316

IUPAC3-[1-(1-ethoxyethoxy)ethyl]-4-methyl-1,5-dihydro-1,2,4-triazole
SMILESCCOC(C)OC(C)C1=NNCN1C
InChIInChI=1S/C9H19N3O2/c1-5-13-8(3)14-7(2)9-11-10-6-12(9)4/h7-8,10H,5-6H2,1-4H3
InChIKeySDBSIVFSIOUNIN-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.58
Rot. Bonds5

About 3-[1-(1-ethoxyethoxy)ethyl]-4-methyl-1,5-dihydro-1,2,4-triazole

3-[1-(1-ethoxyethoxy)ethyl]-4-methyl-1,5-dihydro-1,2,4-triazole (PubChem CID 151823316) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is 3-[1-(1-ethoxyethoxy)ethyl]-4-methyl-1,5-dihydro-1,2,4-triazole.

Molecular Properties

Compound Name3-[1-(1-ethoxyethoxy)ethyl]-4-methyl-1,5-dihydro-1,2,4-triazole
PubChem CID151823316
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC Name3-[1-(1-ethoxyethoxy)ethyl]-4-methyl-1,5-dihydro-1,2,4-triazole
SMILESCCOC(C)OC(C)C1=NNCN1C
InChIInChI=1S/C9H19N3O2/c1-5-13-8(3)14-7(2)9-11-10-6-12(9)4/h7-8,10H,5-6H2,1-4H3
InChIKeySDBSIVFSIOUNIN-UHFFFAOYSA-N
XLogP0.58
TPSA46.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 3-[1-(1-ethoxyethoxy)ethyl]-4-methyl-1,5-dihydro-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

Related Compounds

3-[1-(1-ethoxyethoxy)ethyl]-4-methyl-1H-1,2,4-triazol-5-one
CID 134470296

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1-ethoxyethoxy)ethyl]-4-methyl-1,5-dihydro-1,2,4-triazole?
The IUPAC name of 3-[1-(1-ethoxyethoxy)ethyl]-4-methyl-1,5-dihydro-1,2,4-triazole (CID 151823316) is 3-[1-(1-ethoxyethoxy)ethyl]-4-methyl-1,5-dihydro-1,2,4-triazole.
What is the SMILES notation for 3-[1-(1-ethoxyethoxy)ethyl]-4-methyl-1,5-dihydro-1,2,4-triazole?
The canonical SMILES for 3-[1-(1-ethoxyethoxy)ethyl]-4-methyl-1,5-dihydro-1,2,4-triazole is CCOC(C)OC(C)C1=NNCN1C.
What is the InChIKey of 3-[1-(1-ethoxyethoxy)ethyl]-4-methyl-1,5-dihydro-1,2,4-triazole?
The InChIKey is SDBSIVFSIOUNIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-5-13-8(3)14-7(2)9-11-10-6-12(9)4/h7-8,10H,5-6H2,1-4H3.
What are the key properties of 3-[1-(1-ethoxyethoxy)ethyl]-4-methyl-1,5-dihydro-1,2,4-triazole?
3-[1-(1-ethoxyethoxy)ethyl]-4-methyl-1,5-dihydro-1,2,4-triazole has a molecular weight of 201.27 g/mol, XLogP of 0.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1-ethoxyethoxy)ethyl]-4-methyl-1,5-dihydro-1,2,4-triazole is sourced from PubChem (CID 151823316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).