3-tert-butyl-6,6-dimethyl-1-[(2-methyltetrazol-5-yl)methyl]piperazine-2,5-dione

C13H22N6O2 — CID 107056572

IUPAC3-tert-butyl-6,6-dimethyl-1-[(2-methyltetrazol-5-yl)methyl]piperazine-2,5-dione
SMILESCn1nnc(CN2C(=O)C(C(C)(C)C)NC(=O)C2(C)C)n1
InChIInChI=1S/C13H22N6O2/c1-12(2,3)9-10(20)19(13(4,5)11(21)14-9)7-8-15-17-18(6)16-8/h9H,7H2,1-6H3,(H,14,21)
InChIKeyGRQWBICZKKACIA-UHFFFAOYSA-N
MW294.36 g/mol
LogP-0.14
Rot. Bonds2

About 3-tert-butyl-6,6-dimethyl-1-[(2-methyltetrazol-5-yl)methyl]piperazine-2,5-dione

3-tert-butyl-6,6-dimethyl-1-[(2-methyltetrazol-5-yl)methyl]piperazine-2,5-dione (PubChem CID 107056572) has the molecular formula C13H22N6O2 and a molecular weight of 294.36 g/mol. Its IUPAC name is 3-tert-butyl-6,6-dimethyl-1-[(2-methyltetrazol-5-yl)methyl]piperazine-2,5-dione.

Molecular Properties

Compound Name3-tert-butyl-6,6-dimethyl-1-[(2-methyltetrazol-5-yl)methyl]piperazine-2,5-dione
PubChem CID107056572
Molecular FormulaC13H22N6O2
Molecular Weight294.36 g/mol
Exact Mass294.18
IUPAC Name3-tert-butyl-6,6-dimethyl-1-[(2-methyltetrazol-5-yl)methyl]piperazine-2,5-dione
SMILESCn1nnc(CN2C(=O)C(C(C)(C)C)NC(=O)C2(C)C)n1
InChIInChI=1S/C13H22N6O2/c1-12(2,3)9-10(20)19(13(4,5)11(21)14-9)7-8-15-17-18(6)16-8/h9H,7H2,1-6H3,(H,14,21)
InChIKeyGRQWBICZKKACIA-UHFFFAOYSA-N
XLogP-0.14
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-tert-butyl-6,6-dimethyl-1-[(2-methyltetrazol-5-yl)methyl]piperazine-2,5-dione with MolForge

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Related Compounds

6,6-diethyl-3-methyl-1-[(2-methyltetrazol-5-yl)methyl]piperazine-2,5-dione
CID 107056364
3-tert-butyl-6,6-dimethyl-1-(pyridin-2-ylmethyl)piperazine-2,5-dione
CID 64901135
3-tert-butyl-1-(3-methoxy-3-methylbutyl)-6,6-dimethylpiperazine-2,5-dione
CID 103016903
6-ethyl-6-methyl-1-[(2-methyltetrazol-5-yl)methyl]-3-propylpiperazine-2,5-dione
CID 107056418
3-tert-butyl-6,6-dimethyl-1-(oxan-4-ylmethyl)piperazine-2,5-dione
CID 64902280
3-tert-butyl-6,6-dimethyl-1-[2-(oxolan-2-yl)ethyl]piperazine-2,5-dione
CID 65170251
6-tert-butyl-3-ethyl-1-[(2-methyltetrazol-5-yl)methyl]piperazine-2,5-dione
CID 107056525
3-tert-butyl-1-cyclohexyl-6,6-dimethylpiperazine-2,5-dione
CID 82936711
3-tert-butyl-6-ethyl-6-methyl-1-(4-methylpentyl)piperazine-2,5-dione
CID 83148918
8-tert-butyl-6-propyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64902860
3,3-dimethyl-1-[(2-methyltetrazol-5-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione
CID 107056469
2-[1-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-3-yl]acetic acid
CID 107044977

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-6,6-dimethyl-1-[(2-methyltetrazol-5-yl)methyl]piperazine-2,5-dione?
The IUPAC name of 3-tert-butyl-6,6-dimethyl-1-[(2-methyltetrazol-5-yl)methyl]piperazine-2,5-dione (CID 107056572) is 3-tert-butyl-6,6-dimethyl-1-[(2-methyltetrazol-5-yl)methyl]piperazine-2,5-dione.
What is the SMILES notation for 3-tert-butyl-6,6-dimethyl-1-[(2-methyltetrazol-5-yl)methyl]piperazine-2,5-dione?
The canonical SMILES for 3-tert-butyl-6,6-dimethyl-1-[(2-methyltetrazol-5-yl)methyl]piperazine-2,5-dione is Cn1nnc(CN2C(=O)C(C(C)(C)C)NC(=O)C2(C)C)n1.
What is the InChIKey of 3-tert-butyl-6,6-dimethyl-1-[(2-methyltetrazol-5-yl)methyl]piperazine-2,5-dione?
The InChIKey is GRQWBICZKKACIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6O2/c1-12(2,3)9-10(20)19(13(4,5)11(21)14-9)7-8-15-17-18(6)16-8/h9H,7H2,1-6H3,(H,14,21).
What are the key properties of 3-tert-butyl-6,6-dimethyl-1-[(2-methyltetrazol-5-yl)methyl]piperazine-2,5-dione?
3-tert-butyl-6,6-dimethyl-1-[(2-methyltetrazol-5-yl)methyl]piperazine-2,5-dione has a molecular weight of 294.36 g/mol, XLogP of -0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-6,6-dimethyl-1-[(2-methyltetrazol-5-yl)methyl]piperazine-2,5-dione is sourced from PubChem (CID 107056572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).