5-[2-(azetidin-1-ium-3-yl)ethyl]-2H-tetrazole

C6H12N5+ — CID 142605825

IUPAC5-[2-(azetidin-1-ium-3-yl)ethyl]-2H-tetrazole
SMILESC(CC1C[NH2+]C1)c1nn[nH]n1
InChIInChI=1S/C6H11N5/c1(5-3-7-4-5)2-6-8-10-11-9-6/h5,7H,1-4H2,(H,8,9,10,11)/p+1
InChIKeyDIKHCDGDIIRFPE-UHFFFAOYSA-O
MW154.20 g/mol
LogP-1.67
Rot. Bonds3

About 5-[2-(azetidin-1-ium-3-yl)ethyl]-2H-tetrazole

5-[2-(azetidin-1-ium-3-yl)ethyl]-2H-tetrazole (PubChem CID 142605825) has the molecular formula C6H12N5+ and a molecular weight of 154.20 g/mol. Its IUPAC name is 5-[2-(azetidin-1-ium-3-yl)ethyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[2-(azetidin-1-ium-3-yl)ethyl]-2H-tetrazole
PubChem CID142605825
Molecular FormulaC6H12N5+
Molecular Weight154.20 g/mol
Exact Mass154.11
IUPAC Name5-[2-(azetidin-1-ium-3-yl)ethyl]-2H-tetrazole
SMILESC(CC1C[NH2+]C1)c1nn[nH]n1
InChIInChI=1S/C6H11N5/c1(5-3-7-4-5)2-6-8-10-11-9-6/h5,7H,1-4H2,(H,8,9,10,11)/p+1
InChIKeyDIKHCDGDIIRFPE-UHFFFAOYSA-O
XLogP-1.67
TPSA71.07 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.20
LogP ≤ 5-1.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(azetidin-1-ium-3-yl)ethyl]-2H-tetrazole?
The IUPAC name of 5-[2-(azetidin-1-ium-3-yl)ethyl]-2H-tetrazole (CID 142605825) is 5-[2-(azetidin-1-ium-3-yl)ethyl]-2H-tetrazole.
What is the SMILES notation for 5-[2-(azetidin-1-ium-3-yl)ethyl]-2H-tetrazole?
The canonical SMILES for 5-[2-(azetidin-1-ium-3-yl)ethyl]-2H-tetrazole is C(CC1C[NH2+]C1)c1nn[nH]n1.
What is the InChIKey of 5-[2-(azetidin-1-ium-3-yl)ethyl]-2H-tetrazole?
The InChIKey is DIKHCDGDIIRFPE-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H11N5/c1(5-3-7-4-5)2-6-8-10-11-9-6/h5,7H,1-4H2,(H,8,9,10,11)/p+1.
What are the key properties of 5-[2-(azetidin-1-ium-3-yl)ethyl]-2H-tetrazole?
5-[2-(azetidin-1-ium-3-yl)ethyl]-2H-tetrazole has a molecular weight of 154.20 g/mol, XLogP of -1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(azetidin-1-ium-3-yl)ethyl]-2H-tetrazole is sourced from PubChem (CID 142605825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).