1-[(2-methyltetrazol-5-yl)methyl]-3,6-di(propan-2-yl)piperazine-2,5-dione

C13H22N6O2 — CID 107056430

IUPAC1-[(2-methyltetrazol-5-yl)methyl]-3,6-di(propan-2-yl)piperazine-2,5-dione
SMILESCC(C)C1NC(=O)C(C(C)C)N(Cc2nnn(C)n2)C1=O
InChIInChI=1S/C13H22N6O2/c1-7(2)10-13(21)19(6-9-15-17-18(5)16-9)11(8(3)4)12(20)14-10/h7-8,10-11H,6H2,1-5H3,(H,14,20)
InChIKeyXBLFWQAJJJRQDR-UHFFFAOYSA-N
MW294.36 g/mol
LogP-0.28
Rot. Bonds4

About 1-[(2-methyltetrazol-5-yl)methyl]-3,6-di(propan-2-yl)piperazine-2,5-dione

1-[(2-methyltetrazol-5-yl)methyl]-3,6-di(propan-2-yl)piperazine-2,5-dione (PubChem CID 107056430) has the molecular formula C13H22N6O2 and a molecular weight of 294.36 g/mol. Its IUPAC name is 1-[(2-methyltetrazol-5-yl)methyl]-3,6-di(propan-2-yl)piperazine-2,5-dione.

Molecular Properties

Compound Name1-[(2-methyltetrazol-5-yl)methyl]-3,6-di(propan-2-yl)piperazine-2,5-dione
PubChem CID107056430
Molecular FormulaC13H22N6O2
Molecular Weight294.36 g/mol
Exact Mass294.18
IUPAC Name1-[(2-methyltetrazol-5-yl)methyl]-3,6-di(propan-2-yl)piperazine-2,5-dione
SMILESCC(C)C1NC(=O)C(C(C)C)N(Cc2nnn(C)n2)C1=O
InChIInChI=1S/C13H22N6O2/c1-7(2)10-13(21)19(6-9-15-17-18(5)16-9)11(8(3)4)12(20)14-10/h7-8,10-11H,6H2,1-5H3,(H,14,20)
InChIKeyXBLFWQAJJJRQDR-UHFFFAOYSA-N
XLogP-0.28
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[(2-methyltetrazol-5-yl)methyl]-3,6-di(propan-2-yl)piperazine-2,5-dione with MolForge

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Related Compounds

3,3-dimethyl-1-[(2-methyltetrazol-5-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione
CID 107056469
1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3,6-di(propan-2-yl)piperazine-2,5-dione
CID 106409291
1-(3-methylbutyl)-3,6-di(propan-2-yl)piperazine-2,5-dione
CID 64872808
1-but-3-enyl-3,6-di(propan-2-yl)piperazine-2,5-dione
CID 113466183
3,6-di(propan-2-yl)-1-[2-(1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione
CID 64971148
1-[(5-methylthiophen-2-yl)methyl]-3,6-di(propan-2-yl)piperazine-2,5-dione
CID 64968489
6-tert-butyl-3-ethyl-1-[(2-methyltetrazol-5-yl)methyl]piperazine-2,5-dione
CID 107056525
6-butan-2-yl-3-propan-2-yl-1-(2-propan-2-yloxyethyl)piperazine-2,5-dione
CID 64873399
3-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione
CID 106409247
3-methyl-6-propan-2-yl-1-(pyridin-4-ylmethyl)piperazine-2,5-dione
CID 64874084
6,6-diethyl-3-methyl-1-[(2-methyltetrazol-5-yl)methyl]piperazine-2,5-dione
CID 107056364
6-butan-2-yl-3-propan-2-yl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione
CID 64872817

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyltetrazol-5-yl)methyl]-3,6-di(propan-2-yl)piperazine-2,5-dione?
The IUPAC name of 1-[(2-methyltetrazol-5-yl)methyl]-3,6-di(propan-2-yl)piperazine-2,5-dione (CID 107056430) is 1-[(2-methyltetrazol-5-yl)methyl]-3,6-di(propan-2-yl)piperazine-2,5-dione.
What is the SMILES notation for 1-[(2-methyltetrazol-5-yl)methyl]-3,6-di(propan-2-yl)piperazine-2,5-dione?
The canonical SMILES for 1-[(2-methyltetrazol-5-yl)methyl]-3,6-di(propan-2-yl)piperazine-2,5-dione is CC(C)C1NC(=O)C(C(C)C)N(Cc2nnn(C)n2)C1=O.
What is the InChIKey of 1-[(2-methyltetrazol-5-yl)methyl]-3,6-di(propan-2-yl)piperazine-2,5-dione?
The InChIKey is XBLFWQAJJJRQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6O2/c1-7(2)10-13(21)19(6-9-15-17-18(5)16-9)11(8(3)4)12(20)14-10/h7-8,10-11H,6H2,1-5H3,(H,14,20).
What are the key properties of 1-[(2-methyltetrazol-5-yl)methyl]-3,6-di(propan-2-yl)piperazine-2,5-dione?
1-[(2-methyltetrazol-5-yl)methyl]-3,6-di(propan-2-yl)piperazine-2,5-dione has a molecular weight of 294.36 g/mol, XLogP of -0.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyltetrazol-5-yl)methyl]-3,6-di(propan-2-yl)piperazine-2,5-dione is sourced from PubChem (CID 107056430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).