5-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxymethyl]-1H-1,2,4-triazole

C11H20N6O4 — CID 146231454

IUPAC5-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxymethyl]-1H-1,2,4-triazole
SMILES[N-]=[N+]=NCCOCCOCCOCCOCc1ncn[nH]1
InChIInChI=1S/C11H20N6O4/c12-17-14-1-2-18-3-4-19-5-6-20-7-8-21-9-11-13-10-15-16-11/h10H,1-9H2,(H,13,15,16)
InChIKeyGTCNFHDAUWQDBV-UHFFFAOYSA-N
MW300.32 g/mol
LogP0.68
Rot. Bonds14

About 5-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxymethyl]-1H-1,2,4-triazole

5-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxymethyl]-1H-1,2,4-triazole (PubChem CID 146231454) has the molecular formula C11H20N6O4 and a molecular weight of 300.32 g/mol. Its IUPAC name is 5-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxymethyl]-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxymethyl]-1H-1,2,4-triazole
PubChem CID146231454
Molecular FormulaC11H20N6O4
Molecular Weight300.32 g/mol
Exact Mass300.15
IUPAC Name5-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxymethyl]-1H-1,2,4-triazole
SMILES[N-]=[N+]=NCCOCCOCCOCCOCc1ncn[nH]1
InChIInChI=1S/C11H20N6O4/c12-17-14-1-2-18-3-4-19-5-6-20-7-8-21-9-11-13-10-15-16-11/h10H,1-9H2,(H,13,15,16)
InChIKeyGTCNFHDAUWQDBV-UHFFFAOYSA-N
XLogP0.68
TPSA127.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxymethyl]-1H-1,2,4-triazole?
The IUPAC name of 5-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxymethyl]-1H-1,2,4-triazole (CID 146231454) is 5-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxymethyl]-1H-1,2,4-triazole.
What is the SMILES notation for 5-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxymethyl]-1H-1,2,4-triazole?
The canonical SMILES for 5-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxymethyl]-1H-1,2,4-triazole is [N-]=[N+]=NCCOCCOCCOCCOCc1ncn[nH]1.
What is the InChIKey of 5-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxymethyl]-1H-1,2,4-triazole?
The InChIKey is GTCNFHDAUWQDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6O4/c12-17-14-1-2-18-3-4-19-5-6-20-7-8-21-9-11-13-10-15-16-11/h10H,1-9H2,(H,13,15,16).
What are the key properties of 5-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxymethyl]-1H-1,2,4-triazole?
5-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxymethyl]-1H-1,2,4-triazole has a molecular weight of 300.32 g/mol, XLogP of 0.68, 14 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxymethyl]-1H-1,2,4-triazole is sourced from PubChem (CID 146231454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).