5-(1-methylazetidin-3-yl)-2H-tetrazole

C5H9N5 — CID 59155266

IUPAC5-(1-methylazetidin-3-yl)-2H-tetrazole
SMILESCN1CC(c2nn[nH]n2)C1
InChIInChI=1S/C5H9N5/c1-10-2-4(3-10)5-6-8-9-7-5/h4H,2-3H2,1H3,(H,6,7,8,9)
InChIKeyHPXURZARMYKHTD-UHFFFAOYSA-N
MW139.16 g/mol
LogP-0.77
Rot. Bonds1

About 5-(1-methylazetidin-3-yl)-2H-tetrazole

5-(1-methylazetidin-3-yl)-2H-tetrazole (PubChem CID 59155266) has the molecular formula C5H9N5 and a molecular weight of 139.16 g/mol. Its IUPAC name is 5-(1-methylazetidin-3-yl)-2H-tetrazole.

Molecular Properties

Compound Name5-(1-methylazetidin-3-yl)-2H-tetrazole
PubChem CID59155266
Molecular FormulaC5H9N5
Molecular Weight139.16 g/mol
Exact Mass139.09
IUPAC Name5-(1-methylazetidin-3-yl)-2H-tetrazole
SMILESCN1CC(c2nn[nH]n2)C1
InChIInChI=1S/C5H9N5/c1-10-2-4(3-10)5-6-8-9-7-5/h4H,2-3H2,1H3,(H,6,7,8,9)
InChIKeyHPXURZARMYKHTD-UHFFFAOYSA-N
XLogP-0.77
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 5-0.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methylazetidin-3-yl)-2H-tetrazole?
The IUPAC name of 5-(1-methylazetidin-3-yl)-2H-tetrazole (CID 59155266) is 5-(1-methylazetidin-3-yl)-2H-tetrazole.
What is the SMILES notation for 5-(1-methylazetidin-3-yl)-2H-tetrazole?
The canonical SMILES for 5-(1-methylazetidin-3-yl)-2H-tetrazole is CN1CC(c2nn[nH]n2)C1.
What is the InChIKey of 5-(1-methylazetidin-3-yl)-2H-tetrazole?
The InChIKey is HPXURZARMYKHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N5/c1-10-2-4(3-10)5-6-8-9-7-5/h4H,2-3H2,1H3,(H,6,7,8,9).
What are the key properties of 5-(1-methylazetidin-3-yl)-2H-tetrazole?
5-(1-methylazetidin-3-yl)-2H-tetrazole has a molecular weight of 139.16 g/mol, XLogP of -0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylazetidin-3-yl)-2H-tetrazole is sourced from PubChem (CID 59155266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).