5-[2-[2-[2-(2H-tetrazol-5-yl)ethoxy]ethoxy]ethyl]-2H-tetrazole

C8H14N8O2 — CID 13101701

IUPAC5-[2-[2-[2-(2H-tetrazol-5-yl)ethoxy]ethoxy]ethyl]-2H-tetrazole
SMILESC(COCCc1nn[nH]n1)OCCc1nn[nH]n1
InChIInChI=1S/C8H14N8O2/c1(7-9-13-14-10-7)3-17-5-6-18-4-2-8-11-15-16-12-8/h1-6H2,(H,9,10,13,14)(H,11,12,15,16)
InChIKeyLQPDHTNPUNDHLV-UHFFFAOYSA-N
MW254.25 g/mol
LogP-1.47
Rot. Bonds9

About 5-[2-[2-[2-(2H-tetrazol-5-yl)ethoxy]ethoxy]ethyl]-2H-tetrazole

5-[2-[2-[2-(2H-tetrazol-5-yl)ethoxy]ethoxy]ethyl]-2H-tetrazole (PubChem CID 13101701) has the molecular formula C8H14N8O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 5-[2-[2-[2-(2H-tetrazol-5-yl)ethoxy]ethoxy]ethyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[2-[2-[2-(2H-tetrazol-5-yl)ethoxy]ethoxy]ethyl]-2H-tetrazole
PubChem CID13101701
Molecular FormulaC8H14N8O2
Molecular Weight254.25 g/mol
Exact Mass254.12
IUPAC Name5-[2-[2-[2-(2H-tetrazol-5-yl)ethoxy]ethoxy]ethyl]-2H-tetrazole
SMILESC(COCCc1nn[nH]n1)OCCc1nn[nH]n1
InChIInChI=1S/C8H14N8O2/c1(7-9-13-14-10-7)3-17-5-6-18-4-2-8-11-15-16-12-8/h1-6H2,(H,9,10,13,14)(H,11,12,15,16)
InChIKeyLQPDHTNPUNDHLV-UHFFFAOYSA-N
XLogP-1.47
TPSA127.38 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 5-1.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

5-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2H-tetrazole
CID 104564181
5-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-2H-tetrazole
CID 113427164
5-(4-butoxybutyl)-2H-tetrazole
CID 90689565
5-(6-hexoxyhexyl)-2H-tetrazole
CID 68731797
5-pentyl-2H-tetrazole
CID 139080284
5-[5-[3-[4,4-dimethyl-5-(2H-tetrazol-5-yl)pentoxy]propoxy]-2,2-dimethylpentyl]-2H-tetrazole
CID 22737232
2-(2H-tetrazol-5-yl)ethylphosphonic acid
CID 58953032
N,N-diethyl-3-methylbutan-1-amine;ethane;N-methyl-2-[2-(2H-tetrazol-5-yl)ethoxy]acetamide
CID 142506573
5-(2,2-dimethylpropoxymethyl)-2H-tetrazole
CID 155579956
5-(2-pyrrolidin-1-ylethyl)-2H-tetrazole
CID 107912909
5-(methoxymethyl)-2H-tetrazole;molecular hydrogen
CID 143723114
5-[4-(3,5-ditert-butylphenoxy)butyl]-2H-tetrazole
CID 15067994

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-[2-(2H-tetrazol-5-yl)ethoxy]ethoxy]ethyl]-2H-tetrazole?
The IUPAC name of 5-[2-[2-[2-(2H-tetrazol-5-yl)ethoxy]ethoxy]ethyl]-2H-tetrazole (CID 13101701) is 5-[2-[2-[2-(2H-tetrazol-5-yl)ethoxy]ethoxy]ethyl]-2H-tetrazole.
What is the SMILES notation for 5-[2-[2-[2-(2H-tetrazol-5-yl)ethoxy]ethoxy]ethyl]-2H-tetrazole?
The canonical SMILES for 5-[2-[2-[2-(2H-tetrazol-5-yl)ethoxy]ethoxy]ethyl]-2H-tetrazole is C(COCCc1nn[nH]n1)OCCc1nn[nH]n1.
What is the InChIKey of 5-[2-[2-[2-(2H-tetrazol-5-yl)ethoxy]ethoxy]ethyl]-2H-tetrazole?
The InChIKey is LQPDHTNPUNDHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N8O2/c1(7-9-13-14-10-7)3-17-5-6-18-4-2-8-11-15-16-12-8/h1-6H2,(H,9,10,13,14)(H,11,12,15,16).
What are the key properties of 5-[2-[2-[2-(2H-tetrazol-5-yl)ethoxy]ethoxy]ethyl]-2H-tetrazole?
5-[2-[2-[2-(2H-tetrazol-5-yl)ethoxy]ethoxy]ethyl]-2H-tetrazole has a molecular weight of 254.25 g/mol, XLogP of -1.47, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-[2-(2H-tetrazol-5-yl)ethoxy]ethoxy]ethyl]-2H-tetrazole is sourced from PubChem (CID 13101701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).