4,5-dideuterio-1-[2-(2-methoxyethoxy)ethyl]triazole

C7H13N3O2 — CID 118951426

IUPAC4,5-dideuterio-1-[2-(2-methoxyethoxy)ethyl]triazole
SMILES[2H]c1nnn(CCOCCOC)c1[2H]
InChIInChI=1S/C7H13N3O2/c1-11-6-7-12-5-4-10-3-2-8-9-10/h2-3H,4-7H2,1H3/i2D,3D
InChIKeyUOPDACQAEIOMEW-PBNXXWCMSA-N
MW173.21 g/mol
LogP-0.06
Rot. Bonds6

About 4,5-dideuterio-1-[2-(2-methoxyethoxy)ethyl]triazole

4,5-dideuterio-1-[2-(2-methoxyethoxy)ethyl]triazole (PubChem CID 118951426) has the molecular formula C7H13N3O2 and a molecular weight of 173.21 g/mol. Its IUPAC name is 4,5-dideuterio-1-[2-(2-methoxyethoxy)ethyl]triazole.

Molecular Properties

Compound Name4,5-dideuterio-1-[2-(2-methoxyethoxy)ethyl]triazole
PubChem CID118951426
Molecular FormulaC7H13N3O2
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name4,5-dideuterio-1-[2-(2-methoxyethoxy)ethyl]triazole
SMILES[2H]c1nnn(CCOCCOC)c1[2H]
InChIInChI=1S/C7H13N3O2/c1-11-6-7-12-5-4-10-3-2-8-9-10/h2-3H,4-7H2,1H3/i2D,3D
InChIKeyUOPDACQAEIOMEW-PBNXXWCMSA-N
XLogP-0.06
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 5-0.06
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 4,5-dideuterio-1-[2-(2-methoxyethoxy)ethyl]triazole?
The IUPAC name of 4,5-dideuterio-1-[2-(2-methoxyethoxy)ethyl]triazole (CID 118951426) is 4,5-dideuterio-1-[2-(2-methoxyethoxy)ethyl]triazole.
What is the SMILES notation for 4,5-dideuterio-1-[2-(2-methoxyethoxy)ethyl]triazole?
The canonical SMILES for 4,5-dideuterio-1-[2-(2-methoxyethoxy)ethyl]triazole is [2H]c1nnn(CCOCCOC)c1[2H].
What is the InChIKey of 4,5-dideuterio-1-[2-(2-methoxyethoxy)ethyl]triazole?
The InChIKey is UOPDACQAEIOMEW-PBNXXWCMSA-N. The full InChI is InChI=1S/C7H13N3O2/c1-11-6-7-12-5-4-10-3-2-8-9-10/h2-3H,4-7H2,1H3/i2D,3D.
What are the key properties of 4,5-dideuterio-1-[2-(2-methoxyethoxy)ethyl]triazole?
4,5-dideuterio-1-[2-(2-methoxyethoxy)ethyl]triazole has a molecular weight of 173.21 g/mol, XLogP of -0.06, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dideuterio-1-[2-(2-methoxyethoxy)ethyl]triazole is sourced from PubChem (CID 118951426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).