5-(pyrrolidin-3-ylmethyl)-2H-tetrazole

C6H11N5 — CID 84649792

IUPAC5-(pyrrolidin-3-ylmethyl)-2H-tetrazole
SMILESC1CC(Cc2nn[nH]n2)CN1
InChIInChI=1S/C6H11N5/c1-2-7-4-5(1)3-6-8-10-11-9-6/h5,7H,1-4H2,(H,8,9,10,11)
InChIKeyWWARKOXYFCMWRR-UHFFFAOYSA-N
MW153.19 g/mol
LogP-0.65
Rot. Bonds2

About 5-(pyrrolidin-3-ylmethyl)-2H-tetrazole

5-(pyrrolidin-3-ylmethyl)-2H-tetrazole (PubChem CID 84649792) has the molecular formula C6H11N5 and a molecular weight of 153.19 g/mol. Its IUPAC name is 5-(pyrrolidin-3-ylmethyl)-2H-tetrazole.

Molecular Properties

Compound Name5-(pyrrolidin-3-ylmethyl)-2H-tetrazole
PubChem CID84649792
Molecular FormulaC6H11N5
Molecular Weight153.19 g/mol
Exact Mass153.10
IUPAC Name5-(pyrrolidin-3-ylmethyl)-2H-tetrazole
SMILESC1CC(Cc2nn[nH]n2)CN1
InChIInChI=1S/C6H11N5/c1-2-7-4-5(1)3-6-8-10-11-9-6/h5,7H,1-4H2,(H,8,9,10,11)
InChIKeyWWARKOXYFCMWRR-UHFFFAOYSA-N
XLogP-0.65
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.19
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(pyrrolidin-3-ylmethyl)-2H-tetrazole?
The IUPAC name of 5-(pyrrolidin-3-ylmethyl)-2H-tetrazole (CID 84649792) is 5-(pyrrolidin-3-ylmethyl)-2H-tetrazole.
What is the SMILES notation for 5-(pyrrolidin-3-ylmethyl)-2H-tetrazole?
The canonical SMILES for 5-(pyrrolidin-3-ylmethyl)-2H-tetrazole is C1CC(Cc2nn[nH]n2)CN1.
What is the InChIKey of 5-(pyrrolidin-3-ylmethyl)-2H-tetrazole?
The InChIKey is WWARKOXYFCMWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N5/c1-2-7-4-5(1)3-6-8-10-11-9-6/h5,7H,1-4H2,(H,8,9,10,11).
What are the key properties of 5-(pyrrolidin-3-ylmethyl)-2H-tetrazole?
5-(pyrrolidin-3-ylmethyl)-2H-tetrazole has a molecular weight of 153.19 g/mol, XLogP of -0.65, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(pyrrolidin-3-ylmethyl)-2H-tetrazole is sourced from PubChem (CID 84649792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).