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

C11H18N6O2 — CID 107057025

IUPAC3,3-diethyl-1-[(2-methyltetrazol-5-yl)methyl]piperazine-2,5-dione
SMILESCCC1(CC)NC(=O)CN(Cc2nnn(C)n2)C1=O
InChIInChI=1S/C11H18N6O2/c1-4-11(5-2)10(19)17(7-9(18)12-11)6-8-13-15-16(3)14-8/h4-7H2,1-3H3,(H,12,18)
InChIKeyDIYTYUFRTMUADT-UHFFFAOYSA-N
MW266.30 g/mol
LogP-0.77
Rot. Bonds4

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

3,3-diethyl-1-[(2-methyltetrazol-5-yl)methyl]piperazine-2,5-dione (PubChem CID 107057025) has the molecular formula C11H18N6O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 3,3-diethyl-1-[(2-methyltetrazol-5-yl)methyl]piperazine-2,5-dione.

Molecular Properties

Compound Name3,3-diethyl-1-[(2-methyltetrazol-5-yl)methyl]piperazine-2,5-dione
PubChem CID107057025
Molecular FormulaC11H18N6O2
Molecular Weight266.30 g/mol
Exact Mass266.15
IUPAC Name3,3-diethyl-1-[(2-methyltetrazol-5-yl)methyl]piperazine-2,5-dione
SMILESCCC1(CC)NC(=O)CN(Cc2nnn(C)n2)C1=O
InChIInChI=1S/C11H18N6O2/c1-4-11(5-2)10(19)17(7-9(18)12-11)6-8-13-15-16(3)14-8/h4-7H2,1-3H3,(H,12,18)
InChIKeyDIYTYUFRTMUADT-UHFFFAOYSA-N
XLogP-0.77
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-0.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,3-diethyl-1-[(2-methyltetrazol-5-yl)methyl]piperazine-2,5-dione?
The IUPAC name of 3,3-diethyl-1-[(2-methyltetrazol-5-yl)methyl]piperazine-2,5-dione (CID 107057025) is 3,3-diethyl-1-[(2-methyltetrazol-5-yl)methyl]piperazine-2,5-dione.
What is the SMILES notation for 3,3-diethyl-1-[(2-methyltetrazol-5-yl)methyl]piperazine-2,5-dione?
The canonical SMILES for 3,3-diethyl-1-[(2-methyltetrazol-5-yl)methyl]piperazine-2,5-dione is CCC1(CC)NC(=O)CN(Cc2nnn(C)n2)C1=O.
What is the InChIKey of 3,3-diethyl-1-[(2-methyltetrazol-5-yl)methyl]piperazine-2,5-dione?
The InChIKey is DIYTYUFRTMUADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6O2/c1-4-11(5-2)10(19)17(7-9(18)12-11)6-8-13-15-16(3)14-8/h4-7H2,1-3H3,(H,12,18).
What are the key properties of 3,3-diethyl-1-[(2-methyltetrazol-5-yl)methyl]piperazine-2,5-dione?
3,3-diethyl-1-[(2-methyltetrazol-5-yl)methyl]piperazine-2,5-dione has a molecular weight of 266.30 g/mol, XLogP of -0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyl-1-[(2-methyltetrazol-5-yl)methyl]piperazine-2,5-dione is sourced from PubChem (CID 107057025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).