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

C13H22N6O2 — CID 107056418

IUPAC6-ethyl-6-methyl-1-[(2-methyltetrazol-5-yl)methyl]-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)C(C)(CC)N(Cc2nnn(C)n2)C1=O
InChIInChI=1S/C13H22N6O2/c1-5-7-9-11(20)19(8-10-15-17-18(4)16-10)13(3,6-2)12(21)14-9/h9H,5-8H2,1-4H3,(H,14,21)
InChIKeyVWYSYGASVMMOES-UHFFFAOYSA-N
MW294.36 g/mol
LogP0.01
Rot. Bonds5

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

6-ethyl-6-methyl-1-[(2-methyltetrazol-5-yl)methyl]-3-propylpiperazine-2,5-dione (PubChem CID 107056418) has the molecular formula C13H22N6O2 and a molecular weight of 294.36 g/mol. Its IUPAC name is 6-ethyl-6-methyl-1-[(2-methyltetrazol-5-yl)methyl]-3-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name6-ethyl-6-methyl-1-[(2-methyltetrazol-5-yl)methyl]-3-propylpiperazine-2,5-dione
PubChem CID107056418
Molecular FormulaC13H22N6O2
Molecular Weight294.36 g/mol
Exact Mass294.18
IUPAC Name6-ethyl-6-methyl-1-[(2-methyltetrazol-5-yl)methyl]-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)C(C)(CC)N(Cc2nnn(C)n2)C1=O
InChIInChI=1S/C13H22N6O2/c1-5-7-9-11(20)19(8-10-15-17-18(4)16-10)13(3,6-2)12(21)14-9/h9H,5-8H2,1-4H3,(H,14,21)
InChIKeyVWYSYGASVMMOES-UHFFFAOYSA-N
XLogP0.01
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-ethyl-6-methyl-1-[(2-methyltetrazol-5-yl)methyl]-3-propylpiperazine-2,5-dione with MolForge

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Related Compounds

6-ethyl-1-(3-fluoropropyl)-6-methyl-3-propylpiperazine-2,5-dione
CID 81113360
6-ethyl-6-methyl-1-(4-methylpentyl)-3-propylpiperazine-2,5-dione
CID 83169739
6-ethyl-6-methyl-1-(2-propoxyethyl)-3-propylpiperazine-2,5-dione
CID 106458956
6,6-diethyl-3-methyl-1-[(2-methyltetrazol-5-yl)methyl]piperazine-2,5-dione
CID 107056364
6-ethyl-1-(4-methoxybutyl)-6-methyl-3-propylpiperazine-2,5-dione
CID 104650364
1-[(E)-3-chloroprop-2-enyl]-6-ethyl-6-methyl-3-propylpiperazine-2,5-dione
CID 107902046
6,6-dimethyl-3-propyl-1-(pyrimidin-2-ylmethyl)piperazine-2,5-dione
CID 64874564
6,6-dimethyl-1-pentyl-3-propylpiperazine-2,5-dione
CID 64873577
3-tert-butyl-6,6-dimethyl-1-[(2-methyltetrazol-5-yl)methyl]piperazine-2,5-dione
CID 107056572
6-ethyl-3,6-dimethyl-1-propylpiperazine-2,5-dione
CID 64874502
1-cycloheptyl-6-ethyl-6-methyl-3-propylpiperazine-2,5-dione
CID 82924165
6,6-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]-3-propylpiperazine-2,5-dione
CID 64873772

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-6-methyl-1-[(2-methyltetrazol-5-yl)methyl]-3-propylpiperazine-2,5-dione?
The IUPAC name of 6-ethyl-6-methyl-1-[(2-methyltetrazol-5-yl)methyl]-3-propylpiperazine-2,5-dione (CID 107056418) is 6-ethyl-6-methyl-1-[(2-methyltetrazol-5-yl)methyl]-3-propylpiperazine-2,5-dione.
What is the SMILES notation for 6-ethyl-6-methyl-1-[(2-methyltetrazol-5-yl)methyl]-3-propylpiperazine-2,5-dione?
The canonical SMILES for 6-ethyl-6-methyl-1-[(2-methyltetrazol-5-yl)methyl]-3-propylpiperazine-2,5-dione is CCCC1NC(=O)C(C)(CC)N(Cc2nnn(C)n2)C1=O.
What is the InChIKey of 6-ethyl-6-methyl-1-[(2-methyltetrazol-5-yl)methyl]-3-propylpiperazine-2,5-dione?
The InChIKey is VWYSYGASVMMOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6O2/c1-5-7-9-11(20)19(8-10-15-17-18(4)16-10)13(3,6-2)12(21)14-9/h9H,5-8H2,1-4H3,(H,14,21).
What are the key properties of 6-ethyl-6-methyl-1-[(2-methyltetrazol-5-yl)methyl]-3-propylpiperazine-2,5-dione?
6-ethyl-6-methyl-1-[(2-methyltetrazol-5-yl)methyl]-3-propylpiperazine-2,5-dione has a molecular weight of 294.36 g/mol, XLogP of 0.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-6-methyl-1-[(2-methyltetrazol-5-yl)methyl]-3-propylpiperazine-2,5-dione is sourced from PubChem (CID 107056418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).