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

C13H18ClN5 — CID 6602597

IUPAC1-benzyl-5-(pyrrolidin-1-ylmethyl)tetrazole;hydrochloride
SMILESCl.c1ccc(Cn2nnnc2CN2CCCC2)cc1
InChIInChI=1S/C13H17N5.ClH/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;1H
InChIKeyVEKZQPFBVJRBRL-UHFFFAOYSA-N
MW279.77 g/mol
LogP1.74
Rot. Bonds4

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

1-benzyl-5-(pyrrolidin-1-ylmethyl)tetrazole;hydrochloride (PubChem CID 6602597) has the molecular formula C13H18ClN5 and a molecular weight of 279.77 g/mol. Its IUPAC name is 1-benzyl-5-(pyrrolidin-1-ylmethyl)tetrazole;hydrochloride.

Molecular Properties

Compound Name1-benzyl-5-(pyrrolidin-1-ylmethyl)tetrazole;hydrochloride
PubChem CID6602597
Molecular FormulaC13H18ClN5
Molecular Weight279.77 g/mol
Exact Mass279.13
IUPAC Name1-benzyl-5-(pyrrolidin-1-ylmethyl)tetrazole;hydrochloride
SMILESCl.c1ccc(Cn2nnnc2CN2CCCC2)cc1
InChIInChI=1S/C13H17N5.ClH/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;1H
InChIKeyVEKZQPFBVJRBRL-UHFFFAOYSA-N
XLogP1.74
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-(pyrrolidin-1-ylmethyl)tetrazole;hydrochloride?
The IUPAC name of 1-benzyl-5-(pyrrolidin-1-ylmethyl)tetrazole;hydrochloride (CID 6602597) is 1-benzyl-5-(pyrrolidin-1-ylmethyl)tetrazole;hydrochloride.
What is the SMILES notation for 1-benzyl-5-(pyrrolidin-1-ylmethyl)tetrazole;hydrochloride?
The canonical SMILES for 1-benzyl-5-(pyrrolidin-1-ylmethyl)tetrazole;hydrochloride is Cl.c1ccc(Cn2nnnc2CN2CCCC2)cc1.
What is the InChIKey of 1-benzyl-5-(pyrrolidin-1-ylmethyl)tetrazole;hydrochloride?
The InChIKey is VEKZQPFBVJRBRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5.ClH/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;1H.
What are the key properties of 1-benzyl-5-(pyrrolidin-1-ylmethyl)tetrazole;hydrochloride?
1-benzyl-5-(pyrrolidin-1-ylmethyl)tetrazole;hydrochloride has a molecular weight of 279.77 g/mol, XLogP of 1.74, 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;hydrochloride is sourced from PubChem (CID 6602597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).