5-ethoxy-1-[4-(5-ethoxytriazol-1-yl)butyl]triazole

C12H20N6O2 — CID 13153497

IUPAC5-ethoxy-1-[4-(5-ethoxytriazol-1-yl)butyl]triazole
SMILESCCOc1cnnn1CCCCn1nncc1OCC
InChIInChI=1S/C12H20N6O2/c1-3-19-11-9-13-15-17(11)7-5-6-8-18-12(20-4-2)10-14-16-18/h9-10H,3-8H2,1-2H3
InChIKeySGLNYNMWBKFUBJ-UHFFFAOYSA-N
MW280.33 g/mol
LogP1.15
Rot. Bonds9

About 5-ethoxy-1-[4-(5-ethoxytriazol-1-yl)butyl]triazole

5-ethoxy-1-[4-(5-ethoxytriazol-1-yl)butyl]triazole (PubChem CID 13153497) has the molecular formula C12H20N6O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 5-ethoxy-1-[4-(5-ethoxytriazol-1-yl)butyl]triazole.

Molecular Properties

Compound Name5-ethoxy-1-[4-(5-ethoxytriazol-1-yl)butyl]triazole
PubChem CID13153497
Molecular FormulaC12H20N6O2
Molecular Weight280.33 g/mol
Exact Mass280.16
IUPAC Name5-ethoxy-1-[4-(5-ethoxytriazol-1-yl)butyl]triazole
SMILESCCOc1cnnn1CCCCn1nncc1OCC
InChIInChI=1S/C12H20N6O2/c1-3-19-11-9-13-15-17(11)7-5-6-8-18-12(20-4-2)10-14-16-18/h9-10H,3-8H2,1-2H3
InChIKeySGLNYNMWBKFUBJ-UHFFFAOYSA-N
XLogP1.15
TPSA79.88 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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 5-ethoxy-1-[4-(5-ethoxytriazol-1-yl)butyl]triazole?
The IUPAC name of 5-ethoxy-1-[4-(5-ethoxytriazol-1-yl)butyl]triazole (CID 13153497) is 5-ethoxy-1-[4-(5-ethoxytriazol-1-yl)butyl]triazole.
What is the SMILES notation for 5-ethoxy-1-[4-(5-ethoxytriazol-1-yl)butyl]triazole?
The canonical SMILES for 5-ethoxy-1-[4-(5-ethoxytriazol-1-yl)butyl]triazole is CCOc1cnnn1CCCCn1nncc1OCC.
What is the InChIKey of 5-ethoxy-1-[4-(5-ethoxytriazol-1-yl)butyl]triazole?
The InChIKey is SGLNYNMWBKFUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6O2/c1-3-19-11-9-13-15-17(11)7-5-6-8-18-12(20-4-2)10-14-16-18/h9-10H,3-8H2,1-2H3.
What are the key properties of 5-ethoxy-1-[4-(5-ethoxytriazol-1-yl)butyl]triazole?
5-ethoxy-1-[4-(5-ethoxytriazol-1-yl)butyl]triazole has a molecular weight of 280.33 g/mol, XLogP of 1.15, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-1-[4-(5-ethoxytriazol-1-yl)butyl]triazole is sourced from PubChem (CID 13153497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).