5-(3-pyrrolidin-1-ylpropyl)-2H-tetrazole

C8H15N5 — CID 61494091

IUPAC5-(3-pyrrolidin-1-ylpropyl)-2H-tetrazole
SMILESC1CCN(CCCc2nn[nH]n2)C1
InChIInChI=1S/C8H15N5/c1-2-6-13(5-1)7-3-4-8-9-11-12-10-8/h1-7H2,(H,9,10,11,12)
InChIKeyJUYYYMMKEIIJLS-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.23
Rot. Bonds4

About 5-(3-pyrrolidin-1-ylpropyl)-2H-tetrazole

5-(3-pyrrolidin-1-ylpropyl)-2H-tetrazole (PubChem CID 61494091) has the molecular formula C8H15N5 and a molecular weight of 181.24 g/mol. Its IUPAC name is 5-(3-pyrrolidin-1-ylpropyl)-2H-tetrazole.

Molecular Properties

Compound Name5-(3-pyrrolidin-1-ylpropyl)-2H-tetrazole
PubChem CID61494091
Molecular FormulaC8H15N5
Molecular Weight181.24 g/mol
Exact Mass181.13
IUPAC Name5-(3-pyrrolidin-1-ylpropyl)-2H-tetrazole
SMILESC1CCN(CCCc2nn[nH]n2)C1
InChIInChI=1S/C8H15N5/c1-2-6-13(5-1)7-3-4-8-9-11-12-10-8/h1-7H2,(H,9,10,11,12)
InChIKeyJUYYYMMKEIIJLS-UHFFFAOYSA-N
XLogP0.23
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-pyrrolidin-1-ylpropyl)-2H-tetrazole?
The IUPAC name of 5-(3-pyrrolidin-1-ylpropyl)-2H-tetrazole (CID 61494091) is 5-(3-pyrrolidin-1-ylpropyl)-2H-tetrazole.
What is the SMILES notation for 5-(3-pyrrolidin-1-ylpropyl)-2H-tetrazole?
The canonical SMILES for 5-(3-pyrrolidin-1-ylpropyl)-2H-tetrazole is C1CCN(CCCc2nn[nH]n2)C1.
What is the InChIKey of 5-(3-pyrrolidin-1-ylpropyl)-2H-tetrazole?
The InChIKey is JUYYYMMKEIIJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5/c1-2-6-13(5-1)7-3-4-8-9-11-12-10-8/h1-7H2,(H,9,10,11,12).
What are the key properties of 5-(3-pyrrolidin-1-ylpropyl)-2H-tetrazole?
5-(3-pyrrolidin-1-ylpropyl)-2H-tetrazole has a molecular weight of 181.24 g/mol, XLogP of 0.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-pyrrolidin-1-ylpropyl)-2H-tetrazole is sourced from PubChem (CID 61494091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).