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

C12H20N6O2 — CID 107056364

IUPAC6,6-diethyl-3-methyl-1-[(2-methyltetrazol-5-yl)methyl]piperazine-2,5-dione
SMILESCCC1(CC)C(=O)NC(C)C(=O)N1Cc1nnn(C)n1
InChIInChI=1S/C12H20N6O2/c1-5-12(6-2)11(20)13-8(3)10(19)18(12)7-9-14-16-17(4)15-9/h8H,5-7H2,1-4H3,(H,13,20)
InChIKeyUKDVHHKKUKKVJI-UHFFFAOYSA-N
MW280.33 g/mol
LogP-0.38
Rot. Bonds4

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

6,6-diethyl-3-methyl-1-[(2-methyltetrazol-5-yl)methyl]piperazine-2,5-dione (PubChem CID 107056364) has the molecular formula C12H20N6O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 6,6-diethyl-3-methyl-1-[(2-methyltetrazol-5-yl)methyl]piperazine-2,5-dione.

Molecular Properties

Compound Name6,6-diethyl-3-methyl-1-[(2-methyltetrazol-5-yl)methyl]piperazine-2,5-dione
PubChem CID107056364
Molecular FormulaC12H20N6O2
Molecular Weight280.33 g/mol
Exact Mass280.16
IUPAC Name6,6-diethyl-3-methyl-1-[(2-methyltetrazol-5-yl)methyl]piperazine-2,5-dione
SMILESCCC1(CC)C(=O)NC(C)C(=O)N1Cc1nnn(C)n1
InChIInChI=1S/C12H20N6O2/c1-5-12(6-2)11(20)13-8(3)10(19)18(12)7-9-14-16-17(4)15-9/h8H,5-7H2,1-4H3,(H,13,20)
InChIKeyUKDVHHKKUKKVJI-UHFFFAOYSA-N
XLogP-0.38
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6,6-diethyl-3-methyl-1-[(2-methyltetrazol-5-yl)methyl]piperazine-2,5-dione?
The IUPAC name of 6,6-diethyl-3-methyl-1-[(2-methyltetrazol-5-yl)methyl]piperazine-2,5-dione (CID 107056364) is 6,6-diethyl-3-methyl-1-[(2-methyltetrazol-5-yl)methyl]piperazine-2,5-dione.
What is the SMILES notation for 6,6-diethyl-3-methyl-1-[(2-methyltetrazol-5-yl)methyl]piperazine-2,5-dione?
The canonical SMILES for 6,6-diethyl-3-methyl-1-[(2-methyltetrazol-5-yl)methyl]piperazine-2,5-dione is CCC1(CC)C(=O)NC(C)C(=O)N1Cc1nnn(C)n1.
What is the InChIKey of 6,6-diethyl-3-methyl-1-[(2-methyltetrazol-5-yl)methyl]piperazine-2,5-dione?
The InChIKey is UKDVHHKKUKKVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6O2/c1-5-12(6-2)11(20)13-8(3)10(19)18(12)7-9-14-16-17(4)15-9/h8H,5-7H2,1-4H3,(H,13,20).
What are the key properties of 6,6-diethyl-3-methyl-1-[(2-methyltetrazol-5-yl)methyl]piperazine-2,5-dione?
6,6-diethyl-3-methyl-1-[(2-methyltetrazol-5-yl)methyl]piperazine-2,5-dione has a molecular weight of 280.33 g/mol, XLogP of -0.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-diethyl-3-methyl-1-[(2-methyltetrazol-5-yl)methyl]piperazine-2,5-dione is sourced from PubChem (CID 107056364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).