5-(2-pyrrolidin-1-ylethyl)-2H-tetrazole

C7H13N5 — CID 107912909

IUPAC5-(2-pyrrolidin-1-ylethyl)-2H-tetrazole
SMILESC1CCN(CCc2nn[nH]n2)C1
InChIInChI=1S/C7H13N5/c1-2-5-12(4-1)6-3-7-8-10-11-9-7/h1-6H2,(H,8,9,10,11)
InChIKeyLTYSWVCYFLRZCB-UHFFFAOYSA-N
MW167.22 g/mol
LogP-0.16
Rot. Bonds3

About 5-(2-pyrrolidin-1-ylethyl)-2H-tetrazole

5-(2-pyrrolidin-1-ylethyl)-2H-tetrazole (PubChem CID 107912909) has the molecular formula C7H13N5 and a molecular weight of 167.22 g/mol. Its IUPAC name is 5-(2-pyrrolidin-1-ylethyl)-2H-tetrazole.

Molecular Properties

Compound Name5-(2-pyrrolidin-1-ylethyl)-2H-tetrazole
PubChem CID107912909
Molecular FormulaC7H13N5
Molecular Weight167.22 g/mol
Exact Mass167.12
IUPAC Name5-(2-pyrrolidin-1-ylethyl)-2H-tetrazole
SMILESC1CCN(CCc2nn[nH]n2)C1
InChIInChI=1S/C7H13N5/c1-2-5-12(4-1)6-3-7-8-10-11-9-7/h1-6H2,(H,8,9,10,11)
InChIKeyLTYSWVCYFLRZCB-UHFFFAOYSA-N
XLogP-0.16
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.22
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-pyrrolidin-1-ylethyl)-2H-tetrazole?
The IUPAC name of 5-(2-pyrrolidin-1-ylethyl)-2H-tetrazole (CID 107912909) is 5-(2-pyrrolidin-1-ylethyl)-2H-tetrazole.
What is the SMILES notation for 5-(2-pyrrolidin-1-ylethyl)-2H-tetrazole?
The canonical SMILES for 5-(2-pyrrolidin-1-ylethyl)-2H-tetrazole is C1CCN(CCc2nn[nH]n2)C1.
What is the InChIKey of 5-(2-pyrrolidin-1-ylethyl)-2H-tetrazole?
The InChIKey is LTYSWVCYFLRZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5/c1-2-5-12(4-1)6-3-7-8-10-11-9-7/h1-6H2,(H,8,9,10,11).
What are the key properties of 5-(2-pyrrolidin-1-ylethyl)-2H-tetrazole?
5-(2-pyrrolidin-1-ylethyl)-2H-tetrazole has a molecular weight of 167.22 g/mol, XLogP of -0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-pyrrolidin-1-ylethyl)-2H-tetrazole is sourced from PubChem (CID 107912909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).