1-[[2-(2-methylpropyl)tetrazol-5-yl]methyl]piperazine

C10H20N6 — CID 84789787

IUPAC1-[[2-(2-methylpropyl)tetrazol-5-yl]methyl]piperazine
SMILESCC(C)Cn1nnc(CN2CCNCC2)n1
InChIInChI=1S/C10H20N6/c1-9(2)7-16-13-10(12-14-16)8-15-5-3-11-4-6-15/h9,11H,3-8H2,1-2H3
InChIKeyVMQHWVCVULFFQA-UHFFFAOYSA-N
MW224.31 g/mol
LogP-0.27
Rot. Bonds4

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

1-[[2-(2-methylpropyl)tetrazol-5-yl]methyl]piperazine (PubChem CID 84789787) has the molecular formula C10H20N6 and a molecular weight of 224.31 g/mol. Its IUPAC name is 1-[[2-(2-methylpropyl)tetrazol-5-yl]methyl]piperazine.

Molecular Properties

Compound Name1-[[2-(2-methylpropyl)tetrazol-5-yl]methyl]piperazine
PubChem CID84789787
Molecular FormulaC10H20N6
Molecular Weight224.31 g/mol
Exact Mass224.17
IUPAC Name1-[[2-(2-methylpropyl)tetrazol-5-yl]methyl]piperazine
SMILESCC(C)Cn1nnc(CN2CCNCC2)n1
InChIInChI=1S/C10H20N6/c1-9(2)7-16-13-10(12-14-16)8-15-5-3-11-4-6-15/h9,11H,3-8H2,1-2H3
InChIKeyVMQHWVCVULFFQA-UHFFFAOYSA-N
XLogP-0.27
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(2-methylpropyl)tetrazol-5-yl]methyl]piperazine?
The IUPAC name of 1-[[2-(2-methylpropyl)tetrazol-5-yl]methyl]piperazine (CID 84789787) is 1-[[2-(2-methylpropyl)tetrazol-5-yl]methyl]piperazine.
What is the SMILES notation for 1-[[2-(2-methylpropyl)tetrazol-5-yl]methyl]piperazine?
The canonical SMILES for 1-[[2-(2-methylpropyl)tetrazol-5-yl]methyl]piperazine is CC(C)Cn1nnc(CN2CCNCC2)n1.
What is the InChIKey of 1-[[2-(2-methylpropyl)tetrazol-5-yl]methyl]piperazine?
The InChIKey is VMQHWVCVULFFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N6/c1-9(2)7-16-13-10(12-14-16)8-15-5-3-11-4-6-15/h9,11H,3-8H2,1-2H3.
What are the key properties of 1-[[2-(2-methylpropyl)tetrazol-5-yl]methyl]piperazine?
1-[[2-(2-methylpropyl)tetrazol-5-yl]methyl]piperazine has a molecular weight of 224.31 g/mol, XLogP of -0.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(2-methylpropyl)tetrazol-5-yl]methyl]piperazine is sourced from PubChem (CID 84789787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).