3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-5-methyl-1,2-dihydrotriazole

C12H25N3O4 — CID 130458448

IUPAC3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-5-methyl-1,2-dihydrotriazole
SMILESCOCCOCCOCCOCCN1C=C(C)NN1
InChIInChI=1S/C12H25N3O4/c1-12-11-15(14-13-12)3-4-17-7-8-19-10-9-18-6-5-16-2/h11,13-14H,3-10H2,1-2H3
InChIKeyNNUDRKVZPSGQRS-UHFFFAOYSA-N
MW275.35 g/mol
LogP-0.13
Rot. Bonds12

About 3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-5-methyl-1,2-dihydrotriazole

3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-5-methyl-1,2-dihydrotriazole (PubChem CID 130458448) has the molecular formula C12H25N3O4 and a molecular weight of 275.35 g/mol. Its IUPAC name is 3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-5-methyl-1,2-dihydrotriazole.

Molecular Properties

Compound Name3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-5-methyl-1,2-dihydrotriazole
PubChem CID130458448
Molecular FormulaC12H25N3O4
Molecular Weight275.35 g/mol
Exact Mass275.18
IUPAC Name3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-5-methyl-1,2-dihydrotriazole
SMILESCOCCOCCOCCOCCN1C=C(C)NN1
InChIInChI=1S/C12H25N3O4/c1-12-11-15(14-13-12)3-4-17-7-8-19-10-9-18-6-5-16-2/h11,13-14H,3-10H2,1-2H3
InChIKeyNNUDRKVZPSGQRS-UHFFFAOYSA-N
XLogP-0.13
TPSA64.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-5-methyl-1,2-dihydrotriazole 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-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-5-methyl-1,2-dihydrotriazole?
The IUPAC name of 3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-5-methyl-1,2-dihydrotriazole (CID 130458448) is 3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-5-methyl-1,2-dihydrotriazole.
What is the SMILES notation for 3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-5-methyl-1,2-dihydrotriazole?
The canonical SMILES for 3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-5-methyl-1,2-dihydrotriazole is COCCOCCOCCOCCN1C=C(C)NN1.
What is the InChIKey of 3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-5-methyl-1,2-dihydrotriazole?
The InChIKey is NNUDRKVZPSGQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O4/c1-12-11-15(14-13-12)3-4-17-7-8-19-10-9-18-6-5-16-2/h11,13-14H,3-10H2,1-2H3.
What are the key properties of 3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-5-methyl-1,2-dihydrotriazole?
3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-5-methyl-1,2-dihydrotriazole has a molecular weight of 275.35 g/mol, XLogP of -0.13, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-5-methyl-1,2-dihydrotriazole is sourced from PubChem (CID 130458448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).