2,6-dimethyl-1-(2H-tetrazol-5-ylmethyl)piperazine

C8H16N6 — CID 130589961

IUPAC2,6-dimethyl-1-(2H-tetrazol-5-ylmethyl)piperazine
SMILESCC1CNCC(C)N1Cc1nn[nH]n1
InChIInChI=1S/C8H16N6/c1-6-3-9-4-7(2)14(6)5-8-10-12-13-11-8/h6-7,9H,3-5H2,1-2H3,(H,10,11,12,13)
InChIKeyRCDORTMUDKMFII-UHFFFAOYSA-N
MW196.26 g/mol
LogP-0.62
Rot. Bonds2

About 2,6-dimethyl-1-(2H-tetrazol-5-ylmethyl)piperazine

2,6-dimethyl-1-(2H-tetrazol-5-ylmethyl)piperazine (PubChem CID 130589961) has the molecular formula C8H16N6 and a molecular weight of 196.26 g/mol. Its IUPAC name is 2,6-dimethyl-1-(2H-tetrazol-5-ylmethyl)piperazine.

Molecular Properties

Compound Name2,6-dimethyl-1-(2H-tetrazol-5-ylmethyl)piperazine
PubChem CID130589961
Molecular FormulaC8H16N6
Molecular Weight196.26 g/mol
Exact Mass196.14
IUPAC Name2,6-dimethyl-1-(2H-tetrazol-5-ylmethyl)piperazine
SMILESCC1CNCC(C)N1Cc1nn[nH]n1
InChIInChI=1S/C8H16N6/c1-6-3-9-4-7(2)14(6)5-8-10-12-13-11-8/h6-7,9H,3-5H2,1-2H3,(H,10,11,12,13)
InChIKeyRCDORTMUDKMFII-UHFFFAOYSA-N
XLogP-0.62
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.26
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-1-(2H-tetrazol-5-ylmethyl)piperazine?
The IUPAC name of 2,6-dimethyl-1-(2H-tetrazol-5-ylmethyl)piperazine (CID 130589961) is 2,6-dimethyl-1-(2H-tetrazol-5-ylmethyl)piperazine.
What is the SMILES notation for 2,6-dimethyl-1-(2H-tetrazol-5-ylmethyl)piperazine?
The canonical SMILES for 2,6-dimethyl-1-(2H-tetrazol-5-ylmethyl)piperazine is CC1CNCC(C)N1Cc1nn[nH]n1.
What is the InChIKey of 2,6-dimethyl-1-(2H-tetrazol-5-ylmethyl)piperazine?
The InChIKey is RCDORTMUDKMFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N6/c1-6-3-9-4-7(2)14(6)5-8-10-12-13-11-8/h6-7,9H,3-5H2,1-2H3,(H,10,11,12,13).
What are the key properties of 2,6-dimethyl-1-(2H-tetrazol-5-ylmethyl)piperazine?
2,6-dimethyl-1-(2H-tetrazol-5-ylmethyl)piperazine has a molecular weight of 196.26 g/mol, XLogP of -0.62, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-1-(2H-tetrazol-5-ylmethyl)piperazine is sourced from PubChem (CID 130589961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).