1-[(2-ethyltetrazol-5-yl)methyl]piperazine

C8H16N6 — CID 84774019

IUPAC1-[(2-ethyltetrazol-5-yl)methyl]piperazine
SMILESCCn1nnc(CN2CCNCC2)n1
InChIInChI=1S/C8H16N6/c1-2-14-11-8(10-12-14)7-13-5-3-9-4-6-13/h9H,2-7H2,1H3
InChIKeyOSWGFFPFWKEPPB-UHFFFAOYSA-N
MW196.26 g/mol
LogP-0.90
Rot. Bonds3

About 1-[(2-ethyltetrazol-5-yl)methyl]piperazine

1-[(2-ethyltetrazol-5-yl)methyl]piperazine (PubChem CID 84774019) has the molecular formula C8H16N6 and a molecular weight of 196.26 g/mol. Its IUPAC name is 1-[(2-ethyltetrazol-5-yl)methyl]piperazine.

Molecular Properties

Compound Name1-[(2-ethyltetrazol-5-yl)methyl]piperazine
PubChem CID84774019
Molecular FormulaC8H16N6
Molecular Weight196.26 g/mol
Exact Mass196.14
IUPAC Name1-[(2-ethyltetrazol-5-yl)methyl]piperazine
SMILESCCn1nnc(CN2CCNCC2)n1
InChIInChI=1S/C8H16N6/c1-2-14-11-8(10-12-14)7-13-5-3-9-4-6-13/h9H,2-7H2,1H3
InChIKeyOSWGFFPFWKEPPB-UHFFFAOYSA-N
XLogP-0.90
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.26
LogP ≤ 5-0.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethyltetrazol-5-yl)methyl]piperazine?
The IUPAC name of 1-[(2-ethyltetrazol-5-yl)methyl]piperazine (CID 84774019) is 1-[(2-ethyltetrazol-5-yl)methyl]piperazine.
What is the SMILES notation for 1-[(2-ethyltetrazol-5-yl)methyl]piperazine?
The canonical SMILES for 1-[(2-ethyltetrazol-5-yl)methyl]piperazine is CCn1nnc(CN2CCNCC2)n1.
What is the InChIKey of 1-[(2-ethyltetrazol-5-yl)methyl]piperazine?
The InChIKey is OSWGFFPFWKEPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N6/c1-2-14-11-8(10-12-14)7-13-5-3-9-4-6-13/h9H,2-7H2,1H3.
What are the key properties of 1-[(2-ethyltetrazol-5-yl)methyl]piperazine?
1-[(2-ethyltetrazol-5-yl)methyl]piperazine has a molecular weight of 196.26 g/mol, XLogP of -0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethyltetrazol-5-yl)methyl]piperazine is sourced from PubChem (CID 84774019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).