1-[[1-(2,4,4-trimethylpentan-2-yl)tetrazol-5-yl]methyl]piperazine

C14H28N6 — CID 57395573

IUPAC1-[[1-(2,4,4-trimethylpentan-2-yl)tetrazol-5-yl]methyl]piperazine
SMILESCC(C)(C)CC(C)(C)n1nnnc1CN1CCNCC1
InChIInChI=1S/C14H28N6/c1-13(2,3)11-14(4,5)20-12(16-17-18-20)10-19-8-6-15-7-9-19/h15H,6-11H2,1-5H3
InChIKeyYSENALVNKKVVTR-UHFFFAOYSA-N
MW280.42 g/mol
LogP1.25
Rot. Bonds4

About 1-[[1-(2,4,4-trimethylpentan-2-yl)tetrazol-5-yl]methyl]piperazine

1-[[1-(2,4,4-trimethylpentan-2-yl)tetrazol-5-yl]methyl]piperazine (PubChem CID 57395573) has the molecular formula C14H28N6 and a molecular weight of 280.42 g/mol. Its IUPAC name is 1-[[1-(2,4,4-trimethylpentan-2-yl)tetrazol-5-yl]methyl]piperazine.

Molecular Properties

Compound Name1-[[1-(2,4,4-trimethylpentan-2-yl)tetrazol-5-yl]methyl]piperazine
PubChem CID57395573
Molecular FormulaC14H28N6
Molecular Weight280.42 g/mol
Exact Mass280.24
IUPAC Name1-[[1-(2,4,4-trimethylpentan-2-yl)tetrazol-5-yl]methyl]piperazine
SMILESCC(C)(C)CC(C)(C)n1nnnc1CN1CCNCC1
InChIInChI=1S/C14H28N6/c1-13(2,3)11-14(4,5)20-12(16-17-18-20)10-19-8-6-15-7-9-19/h15H,6-11H2,1-5H3
InChIKeyYSENALVNKKVVTR-UHFFFAOYSA-N
XLogP1.25
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2,4,4-trimethylpentan-2-yl)tetrazol-5-yl]methyl]piperazine?
The IUPAC name of 1-[[1-(2,4,4-trimethylpentan-2-yl)tetrazol-5-yl]methyl]piperazine (CID 57395573) is 1-[[1-(2,4,4-trimethylpentan-2-yl)tetrazol-5-yl]methyl]piperazine.
What is the SMILES notation for 1-[[1-(2,4,4-trimethylpentan-2-yl)tetrazol-5-yl]methyl]piperazine?
The canonical SMILES for 1-[[1-(2,4,4-trimethylpentan-2-yl)tetrazol-5-yl]methyl]piperazine is CC(C)(C)CC(C)(C)n1nnnc1CN1CCNCC1.
What is the InChIKey of 1-[[1-(2,4,4-trimethylpentan-2-yl)tetrazol-5-yl]methyl]piperazine?
The InChIKey is YSENALVNKKVVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N6/c1-13(2,3)11-14(4,5)20-12(16-17-18-20)10-19-8-6-15-7-9-19/h15H,6-11H2,1-5H3.
What are the key properties of 1-[[1-(2,4,4-trimethylpentan-2-yl)tetrazol-5-yl]methyl]piperazine?
1-[[1-(2,4,4-trimethylpentan-2-yl)tetrazol-5-yl]methyl]piperazine has a molecular weight of 280.42 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2,4,4-trimethylpentan-2-yl)tetrazol-5-yl]methyl]piperazine is sourced from PubChem (CID 57395573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).