5-[(3R)-pyrrolidin-3-yl]-2H-tetrazole

C5H9N5 — CID 21025944

IUPAC5-[(3R)-pyrrolidin-3-yl]-2H-tetrazole
SMILESC1C[C@@H](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)/t4-/m1/s1
InChIKeyVYQMPDFYNWSLGY-SCSAIBSYSA-N
MW139.16 g/mol
LogP-0.72
Rot. Bonds1

About 5-[(3R)-pyrrolidin-3-yl]-2H-tetrazole

5-[(3R)-pyrrolidin-3-yl]-2H-tetrazole (PubChem CID 21025944) has the molecular formula C5H9N5 and a molecular weight of 139.16 g/mol. Its IUPAC name is 5-[(3R)-pyrrolidin-3-yl]-2H-tetrazole.

Molecular Properties

Compound Name5-[(3R)-pyrrolidin-3-yl]-2H-tetrazole
PubChem CID21025944
Molecular FormulaC5H9N5
Molecular Weight139.16 g/mol
Exact Mass139.09
IUPAC Name5-[(3R)-pyrrolidin-3-yl]-2H-tetrazole
SMILESC1C[C@@H](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)/t4-/m1/s1
InChIKeyVYQMPDFYNWSLGY-SCSAIBSYSA-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-[(3R)-pyrrolidin-3-yl]-2H-tetrazole?
The IUPAC name of 5-[(3R)-pyrrolidin-3-yl]-2H-tetrazole (CID 21025944) is 5-[(3R)-pyrrolidin-3-yl]-2H-tetrazole.
What is the SMILES notation for 5-[(3R)-pyrrolidin-3-yl]-2H-tetrazole?
The canonical SMILES for 5-[(3R)-pyrrolidin-3-yl]-2H-tetrazole is C1C[C@@H](c2nn[nH]n2)CN1.
What is the InChIKey of 5-[(3R)-pyrrolidin-3-yl]-2H-tetrazole?
The InChIKey is VYQMPDFYNWSLGY-SCSAIBSYSA-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)/t4-/m1/s1.
What are the key properties of 5-[(3R)-pyrrolidin-3-yl]-2H-tetrazole?
5-[(3R)-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-[(3R)-pyrrolidin-3-yl]-2H-tetrazole is sourced from PubChem (CID 21025944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).