5-pyrrolidin-3-yl-2H-tetrazole

C5H9N5 — CID 22181536

IUPAC5-pyrrolidin-3-yl-2H-tetrazole
SMILESC1CC(c2nn[nH]n2)CN1
InChIInChI=1S/C5H9N5/c1-2-6-3-4(1)5-7-9-10-8-5/h4,6H,1-3H2,(H,7,8,9,10)
InChIKeyVYQMPDFYNWSLGY-UHFFFAOYSA-N
MW139.16 g/mol
LogP-0.72
Rot. Bonds1

About 5-pyrrolidin-3-yl-2H-tetrazole

5-pyrrolidin-3-yl-2H-tetrazole (PubChem CID 22181536) has the molecular formula C5H9N5 and a molecular weight of 139.16 g/mol. Its IUPAC name is 5-pyrrolidin-3-yl-2H-tetrazole.

Molecular Properties

Compound Name5-pyrrolidin-3-yl-2H-tetrazole
PubChem CID22181536
Molecular FormulaC5H9N5
Molecular Weight139.16 g/mol
Exact Mass139.09
IUPAC Name5-pyrrolidin-3-yl-2H-tetrazole
SMILESC1CC(c2nn[nH]n2)CN1
InChIInChI=1S/C5H9N5/c1-2-6-3-4(1)5-7-9-10-8-5/h4,6H,1-3H2,(H,7,8,9,10)
InChIKeyVYQMPDFYNWSLGY-UHFFFAOYSA-N
XLogP-0.72
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-pyrrolidin-3-yl-2H-tetrazole?
The IUPAC name of 5-pyrrolidin-3-yl-2H-tetrazole (CID 22181536) is 5-pyrrolidin-3-yl-2H-tetrazole.
What is the SMILES notation for 5-pyrrolidin-3-yl-2H-tetrazole?
The canonical SMILES for 5-pyrrolidin-3-yl-2H-tetrazole is C1CC(c2nn[nH]n2)CN1.
What is the InChIKey of 5-pyrrolidin-3-yl-2H-tetrazole?
The InChIKey is VYQMPDFYNWSLGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N5/c1-2-6-3-4(1)5-7-9-10-8-5/h4,6H,1-3H2,(H,7,8,9,10).
What are the key properties of 5-pyrrolidin-3-yl-2H-tetrazole?
5-pyrrolidin-3-yl-2H-tetrazole has a molecular weight of 139.16 g/mol, XLogP of -0.72, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyrrolidin-3-yl-2H-tetrazole is sourced from PubChem (CID 22181536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).