5-(azetidin-3-yl)-2H-tetrazole

C4H7N5 — CID 58415389

IUPAC5-(azetidin-3-yl)-2H-tetrazole
SMILESC1NCC1c1nn[nH]n1
InChIInChI=1S/C4H7N5/c1-3(2-5-1)4-6-8-9-7-4/h3,5H,1-2H2,(H,6,7,8,9)
InChIKeyXTUWELXPIPDXIN-UHFFFAOYSA-N
MW125.13 g/mol
LogP-1.11
Rot. Bonds1

About 5-(azetidin-3-yl)-2H-tetrazole

5-(azetidin-3-yl)-2H-tetrazole (PubChem CID 58415389) has the molecular formula C4H7N5 and a molecular weight of 125.13 g/mol. Its IUPAC name is 5-(azetidin-3-yl)-2H-tetrazole.

Molecular Properties

Compound Name5-(azetidin-3-yl)-2H-tetrazole
PubChem CID58415389
Molecular FormulaC4H7N5
Molecular Weight125.13 g/mol
Exact Mass125.07
IUPAC Name5-(azetidin-3-yl)-2H-tetrazole
SMILESC1NCC1c1nn[nH]n1
InChIInChI=1S/C4H7N5/c1-3(2-5-1)4-6-8-9-7-4/h3,5H,1-2H2,(H,6,7,8,9)
InChIKeyXTUWELXPIPDXIN-UHFFFAOYSA-N
XLogP-1.11
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.13
LogP ≤ 5-1.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(azetidin-3-yl)-2H-tetrazole?
The IUPAC name of 5-(azetidin-3-yl)-2H-tetrazole (CID 58415389) is 5-(azetidin-3-yl)-2H-tetrazole.
What is the SMILES notation for 5-(azetidin-3-yl)-2H-tetrazole?
The canonical SMILES for 5-(azetidin-3-yl)-2H-tetrazole is C1NCC1c1nn[nH]n1.
What is the InChIKey of 5-(azetidin-3-yl)-2H-tetrazole?
The InChIKey is XTUWELXPIPDXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N5/c1-3(2-5-1)4-6-8-9-7-4/h3,5H,1-2H2,(H,6,7,8,9).
What are the key properties of 5-(azetidin-3-yl)-2H-tetrazole?
5-(azetidin-3-yl)-2H-tetrazole has a molecular weight of 125.13 g/mol, XLogP of -1.11, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azetidin-3-yl)-2H-tetrazole is sourced from PubChem (CID 58415389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).