3,6-bis[1-[2-(2-methoxyethoxy)ethyl]triazol-4-yl]pyridazine

C18H26N8O4 — CID 139253050

IUPAC3,6-bis[1-[2-(2-methoxyethoxy)ethyl]triazol-4-yl]pyridazine
SMILESCOCCOCCn1cc(-c2ccc(-c3cn(CCOCCOC)nn3)nn2)nn1
InChIInChI=1S/C18H26N8O4/c1-27-9-11-29-7-5-25-13-17(21-23-25)15-3-4-16(20-19-15)18-14-26(24-22-18)6-8-30-12-10-28-2/h3-4,13-14H,5-12H2,1-2H3
InChIKeyBVPYESCEINALKX-UHFFFAOYSA-N
MW418.46 g/mol
LogP0.32
Rot. Bonds14

About 3,6-bis[1-[2-(2-methoxyethoxy)ethyl]triazol-4-yl]pyridazine

3,6-bis[1-[2-(2-methoxyethoxy)ethyl]triazol-4-yl]pyridazine (PubChem CID 139253050) has the molecular formula C18H26N8O4 and a molecular weight of 418.46 g/mol. Its IUPAC name is 3,6-bis[1-[2-(2-methoxyethoxy)ethyl]triazol-4-yl]pyridazine.

Molecular Properties

Compound Name3,6-bis[1-[2-(2-methoxyethoxy)ethyl]triazol-4-yl]pyridazine
PubChem CID139253050
Molecular FormulaC18H26N8O4
Molecular Weight418.46 g/mol
Exact Mass418.21
IUPAC Name3,6-bis[1-[2-(2-methoxyethoxy)ethyl]triazol-4-yl]pyridazine
SMILESCOCCOCCn1cc(-c2ccc(-c3cn(CCOCCOC)nn3)nn2)nn1
InChIInChI=1S/C18H26N8O4/c1-27-9-11-29-7-5-25-13-17(21-23-25)15-3-4-16(20-19-15)18-14-26(24-22-18)6-8-30-12-10-28-2/h3-4,13-14H,5-12H2,1-2H3
InChIKeyBVPYESCEINALKX-UHFFFAOYSA-N
XLogP0.32
TPSA124.12 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds14
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.46
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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 3,6-bis[1-[2-(2-methoxyethoxy)ethyl]triazol-4-yl]pyridazine?
The IUPAC name of 3,6-bis[1-[2-(2-methoxyethoxy)ethyl]triazol-4-yl]pyridazine (CID 139253050) is 3,6-bis[1-[2-(2-methoxyethoxy)ethyl]triazol-4-yl]pyridazine.
What is the SMILES notation for 3,6-bis[1-[2-(2-methoxyethoxy)ethyl]triazol-4-yl]pyridazine?
The canonical SMILES for 3,6-bis[1-[2-(2-methoxyethoxy)ethyl]triazol-4-yl]pyridazine is COCCOCCn1cc(-c2ccc(-c3cn(CCOCCOC)nn3)nn2)nn1.
What is the InChIKey of 3,6-bis[1-[2-(2-methoxyethoxy)ethyl]triazol-4-yl]pyridazine?
The InChIKey is BVPYESCEINALKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N8O4/c1-27-9-11-29-7-5-25-13-17(21-23-25)15-3-4-16(20-19-15)18-14-26(24-22-18)6-8-30-12-10-28-2/h3-4,13-14H,5-12H2,1-2H3.
What are the key properties of 3,6-bis[1-[2-(2-methoxyethoxy)ethyl]triazol-4-yl]pyridazine?
3,6-bis[1-[2-(2-methoxyethoxy)ethyl]triazol-4-yl]pyridazine has a molecular weight of 418.46 g/mol, XLogP of 0.32, 14 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis[1-[2-(2-methoxyethoxy)ethyl]triazol-4-yl]pyridazine is sourced from PubChem (CID 139253050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).