1-pyrrolidin-2-yltetrazole

C5H9N5 — CID 66850834

IUPAC1-pyrrolidin-2-yltetrazole
SMILESc1nnnn1C1CCCN1
InChIInChI=1S/C5H9N5/c1-2-5(6-3-1)10-4-7-8-9-10/h4-6H,1-3H2
InChIKeyCSXLVARCOLLWPI-UHFFFAOYSA-N
MW139.16 g/mol
LogP-0.44
Rot. Bonds1

About 1-pyrrolidin-2-yltetrazole

1-pyrrolidin-2-yltetrazole (PubChem CID 66850834) has the molecular formula C5H9N5 and a molecular weight of 139.16 g/mol. Its IUPAC name is 1-pyrrolidin-2-yltetrazole.

Molecular Properties

Compound Name1-pyrrolidin-2-yltetrazole
PubChem CID66850834
Molecular FormulaC5H9N5
Molecular Weight139.16 g/mol
Exact Mass139.09
IUPAC Name1-pyrrolidin-2-yltetrazole
SMILESc1nnnn1C1CCCN1
InChIInChI=1S/C5H9N5/c1-2-5(6-3-1)10-4-7-8-9-10/h4-6H,1-3H2
InChIKeyCSXLVARCOLLWPI-UHFFFAOYSA-N
XLogP-0.44
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-2-yltetrazole?
The IUPAC name of 1-pyrrolidin-2-yltetrazole (CID 66850834) is 1-pyrrolidin-2-yltetrazole.
What is the SMILES notation for 1-pyrrolidin-2-yltetrazole?
The canonical SMILES for 1-pyrrolidin-2-yltetrazole is c1nnnn1C1CCCN1.
What is the InChIKey of 1-pyrrolidin-2-yltetrazole?
The InChIKey is CSXLVARCOLLWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N5/c1-2-5(6-3-1)10-4-7-8-9-10/h4-6H,1-3H2.
What are the key properties of 1-pyrrolidin-2-yltetrazole?
1-pyrrolidin-2-yltetrazole has a molecular weight of 139.16 g/mol, XLogP of -0.44, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-2-yltetrazole is sourced from PubChem (CID 66850834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).