1-benzyl-5-(pyrrolidin-1-ylmethyl)tetrazole

C13H17N5 — CID 653121

IUPAC1-benzyl-5-(pyrrolidin-1-ylmethyl)tetrazole
SMILESc1ccc(Cn2nnnc2CN2CCCC2)cc1
InChIInChI=1S/C13H17N5/c1-2-6-12(7-3-1)10-18-13(14-15-16-18)11-17-8-4-5-9-17/h1-3,6-7H,4-5,8-11H2
InChIKeyDNLFRBLYHZRVSY-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.32
Rot. Bonds4

About 1-benzyl-5-(pyrrolidin-1-ylmethyl)tetrazole

1-benzyl-5-(pyrrolidin-1-ylmethyl)tetrazole (PubChem CID 653121) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-benzyl-5-(pyrrolidin-1-ylmethyl)tetrazole.

Molecular Properties

Compound Name1-benzyl-5-(pyrrolidin-1-ylmethyl)tetrazole
PubChem CID653121
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC Name1-benzyl-5-(pyrrolidin-1-ylmethyl)tetrazole
SMILESc1ccc(Cn2nnnc2CN2CCCC2)cc1
InChIInChI=1S/C13H17N5/c1-2-6-12(7-3-1)10-18-13(14-15-16-18)11-17-8-4-5-9-17/h1-3,6-7H,4-5,8-11H2
InChIKeyDNLFRBLYHZRVSY-UHFFFAOYSA-N
XLogP1.32
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-benzyl-5-(pyrrolidin-1-ylmethyl)tetrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-(pyrrolidin-1-ylmethyl)tetrazole?
The IUPAC name of 1-benzyl-5-(pyrrolidin-1-ylmethyl)tetrazole (CID 653121) is 1-benzyl-5-(pyrrolidin-1-ylmethyl)tetrazole.
What is the SMILES notation for 1-benzyl-5-(pyrrolidin-1-ylmethyl)tetrazole?
The canonical SMILES for 1-benzyl-5-(pyrrolidin-1-ylmethyl)tetrazole is c1ccc(Cn2nnnc2CN2CCCC2)cc1.
What is the InChIKey of 1-benzyl-5-(pyrrolidin-1-ylmethyl)tetrazole?
The InChIKey is DNLFRBLYHZRVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c1-2-6-12(7-3-1)10-18-13(14-15-16-18)11-17-8-4-5-9-17/h1-3,6-7H,4-5,8-11H2.
What are the key properties of 1-benzyl-5-(pyrrolidin-1-ylmethyl)tetrazole?
1-benzyl-5-(pyrrolidin-1-ylmethyl)tetrazole has a molecular weight of 243.31 g/mol, XLogP of 1.32, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-(pyrrolidin-1-ylmethyl)tetrazole is sourced from PubChem (CID 653121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).