5-[11-(2H-tetrazol-5-yl)undecyl]-2H-tetrazole

C13H24N8 — CID 172619754

IUPAC5-[11-(2H-tetrazol-5-yl)undecyl]-2H-tetrazole
SMILESC(CCCCCc1nn[nH]n1)CCCCCc1nn[nH]n1
InChIInChI=1S/C13H24N8/c1(2-4-6-8-10-12-14-18-19-15-12)3-5-7-9-11-13-16-20-21-17-13/h1-11H2,(H,14,15,18,19)(H,16,17,20,21)
InChIKeyCFAAUZWHYMEZTG-UHFFFAOYSA-N
MW292.39 g/mol
LogP2.01
Rot. Bonds12

About 5-[11-(2H-tetrazol-5-yl)undecyl]-2H-tetrazole

5-[11-(2H-tetrazol-5-yl)undecyl]-2H-tetrazole (PubChem CID 172619754) has the molecular formula C13H24N8 and a molecular weight of 292.39 g/mol. Its IUPAC name is 5-[11-(2H-tetrazol-5-yl)undecyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[11-(2H-tetrazol-5-yl)undecyl]-2H-tetrazole
PubChem CID172619754
Molecular FormulaC13H24N8
Molecular Weight292.39 g/mol
Exact Mass292.21
IUPAC Name5-[11-(2H-tetrazol-5-yl)undecyl]-2H-tetrazole
SMILESC(CCCCCc1nn[nH]n1)CCCCCc1nn[nH]n1
InChIInChI=1S/C13H24N8/c1(2-4-6-8-10-12-14-18-19-15-12)3-5-7-9-11-13-16-20-21-17-13/h1-11H2,(H,14,15,18,19)(H,16,17,20,21)
InChIKeyCFAAUZWHYMEZTG-UHFFFAOYSA-N
XLogP2.01
TPSA108.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[11-(2H-tetrazol-5-yl)undecyl]-2H-tetrazole?
The IUPAC name of 5-[11-(2H-tetrazol-5-yl)undecyl]-2H-tetrazole (CID 172619754) is 5-[11-(2H-tetrazol-5-yl)undecyl]-2H-tetrazole.
What is the SMILES notation for 5-[11-(2H-tetrazol-5-yl)undecyl]-2H-tetrazole?
The canonical SMILES for 5-[11-(2H-tetrazol-5-yl)undecyl]-2H-tetrazole is C(CCCCCc1nn[nH]n1)CCCCCc1nn[nH]n1.
What is the InChIKey of 5-[11-(2H-tetrazol-5-yl)undecyl]-2H-tetrazole?
The InChIKey is CFAAUZWHYMEZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N8/c1(2-4-6-8-10-12-14-18-19-15-12)3-5-7-9-11-13-16-20-21-17-13/h1-11H2,(H,14,15,18,19)(H,16,17,20,21).
What are the key properties of 5-[11-(2H-tetrazol-5-yl)undecyl]-2H-tetrazole?
5-[11-(2H-tetrazol-5-yl)undecyl]-2H-tetrazole has a molecular weight of 292.39 g/mol, XLogP of 2.01, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[11-(2H-tetrazol-5-yl)undecyl]-2H-tetrazole is sourced from PubChem (CID 172619754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).