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

C13H22N6O2 — CID 107056525

IUPAC6-tert-butyl-3-ethyl-1-[(2-methyltetrazol-5-yl)methyl]piperazine-2,5-dione
SMILESCCC1NC(=O)C(C(C)(C)C)N(Cc2nnn(C)n2)C1=O
InChIInChI=1S/C13H22N6O2/c1-6-8-12(21)19(7-9-15-17-18(5)16-9)10(11(20)14-8)13(2,3)4/h8,10H,6-7H2,1-5H3,(H,14,20)
InChIKeyWCERNWOQCCAYIT-UHFFFAOYSA-N
MW294.36 g/mol
LogP-0.14
Rot. Bonds3

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

6-tert-butyl-3-ethyl-1-[(2-methyltetrazol-5-yl)methyl]piperazine-2,5-dione (PubChem CID 107056525) has the molecular formula C13H22N6O2 and a molecular weight of 294.36 g/mol. Its IUPAC name is 6-tert-butyl-3-ethyl-1-[(2-methyltetrazol-5-yl)methyl]piperazine-2,5-dione.

Molecular Properties

Compound Name6-tert-butyl-3-ethyl-1-[(2-methyltetrazol-5-yl)methyl]piperazine-2,5-dione
PubChem CID107056525
Molecular FormulaC13H22N6O2
Molecular Weight294.36 g/mol
Exact Mass294.18
IUPAC Name6-tert-butyl-3-ethyl-1-[(2-methyltetrazol-5-yl)methyl]piperazine-2,5-dione
SMILESCCC1NC(=O)C(C(C)(C)C)N(Cc2nnn(C)n2)C1=O
InChIInChI=1S/C13H22N6O2/c1-6-8-12(21)19(7-9-15-17-18(5)16-9)10(11(20)14-8)13(2,3)4/h8,10H,6-7H2,1-5H3,(H,14,20)
InChIKeyWCERNWOQCCAYIT-UHFFFAOYSA-N
XLogP-0.14
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
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

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Related Compounds

6-tert-butyl-3-ethyl-1-(3-fluoropropyl)piperazine-2,5-dione
CID 81113020
6-tert-butyl-3-ethyl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione
CID 64902045
6-tert-butyl-3-ethyl-1-(2-ethylbutyl)piperazine-2,5-dione
CID 82934453
6-tert-butyl-3-ethyl-1-[2-(2-methoxyethoxy)ethyl]piperazine-2,5-dione
CID 64902809
1-[(2-methyltetrazol-5-yl)methyl]-3,6-di(propan-2-yl)piperazine-2,5-dione
CID 107056430
3-tert-butyl-6,6-dimethyl-1-[(2-methyltetrazol-5-yl)methyl]piperazine-2,5-dione
CID 107056572
6-tert-butyl-1-(3-methylbutyl)-3-propylpiperazine-2,5-dione
CID 64873376
1-(3,3-dimethylbutyl)-3,6-diethylpiperazine-2,5-dione
CID 64901256
3-ethyl-1-[(2-methyltetrazol-5-yl)methyl]piperidin-4-one
CID 107043040
6-tert-butyl-1-(2-ethylbutyl)-3-propylpiperazine-2,5-dione
CID 82926672
3-benzyl-6-tert-butyl-1-ethylpiperazine-2,5-dione
CID 64901185
1-benzyl-3,6-ditert-butylpiperazine-2,5-dione
CID 64902852

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-3-ethyl-1-[(2-methyltetrazol-5-yl)methyl]piperazine-2,5-dione?
The IUPAC name of 6-tert-butyl-3-ethyl-1-[(2-methyltetrazol-5-yl)methyl]piperazine-2,5-dione (CID 107056525) is 6-tert-butyl-3-ethyl-1-[(2-methyltetrazol-5-yl)methyl]piperazine-2,5-dione.
What is the SMILES notation for 6-tert-butyl-3-ethyl-1-[(2-methyltetrazol-5-yl)methyl]piperazine-2,5-dione?
The canonical SMILES for 6-tert-butyl-3-ethyl-1-[(2-methyltetrazol-5-yl)methyl]piperazine-2,5-dione is CCC1NC(=O)C(C(C)(C)C)N(Cc2nnn(C)n2)C1=O.
What is the InChIKey of 6-tert-butyl-3-ethyl-1-[(2-methyltetrazol-5-yl)methyl]piperazine-2,5-dione?
The InChIKey is WCERNWOQCCAYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6O2/c1-6-8-12(21)19(7-9-15-17-18(5)16-9)10(11(20)14-8)13(2,3)4/h8,10H,6-7H2,1-5H3,(H,14,20).
What are the key properties of 6-tert-butyl-3-ethyl-1-[(2-methyltetrazol-5-yl)methyl]piperazine-2,5-dione?
6-tert-butyl-3-ethyl-1-[(2-methyltetrazol-5-yl)methyl]piperazine-2,5-dione has a molecular weight of 294.36 g/mol, XLogP of -0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-3-ethyl-1-[(2-methyltetrazol-5-yl)methyl]piperazine-2,5-dione is sourced from PubChem (CID 107056525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).