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

C12H20N6O2 — CID 107056469

IUPAC3,3-dimethyl-1-[(2-methyltetrazol-5-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione
SMILESCC(C)C1C(=O)NC(C)(C)C(=O)N1Cc1nnn(C)n1
InChIInChI=1S/C12H20N6O2/c1-7(2)9-10(19)13-12(3,4)11(20)18(9)6-8-14-16-17(5)15-8/h7,9H,6H2,1-5H3,(H,13,19)
InChIKeyVXOVLWDGRIBZIS-UHFFFAOYSA-N
MW280.33 g/mol
LogP-0.53
Rot. Bonds3

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

3,3-dimethyl-1-[(2-methyltetrazol-5-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione (PubChem CID 107056469) has the molecular formula C12H20N6O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 3,3-dimethyl-1-[(2-methyltetrazol-5-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name3,3-dimethyl-1-[(2-methyltetrazol-5-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione
PubChem CID107056469
Molecular FormulaC12H20N6O2
Molecular Weight280.33 g/mol
Exact Mass280.16
IUPAC Name3,3-dimethyl-1-[(2-methyltetrazol-5-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione
SMILESCC(C)C1C(=O)NC(C)(C)C(=O)N1Cc1nnn(C)n1
InChIInChI=1S/C12H20N6O2/c1-7(2)9-10(19)13-12(3,4)11(20)18(9)6-8-14-16-17(5)15-8/h7,9H,6H2,1-5H3,(H,13,19)
InChIKeyVXOVLWDGRIBZIS-UHFFFAOYSA-N
XLogP-0.53
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Launch Full Analysis

Related Compounds

1-[(2-methyltetrazol-5-yl)methyl]-3,6-di(propan-2-yl)piperazine-2,5-dione
CID 107056430
1-but-3-ynyl-3,3-dimethyl-6-propan-2-ylpiperazine-2,5-dione
CID 64972499
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,3-dimethyl-6-propan-2-ylpiperazine-2,5-dione
CID 79232201
3,3-dimethyl-6-propan-2-yl-1-(2-propan-2-ylsulfonylethyl)piperazine-2,5-dione
CID 106733527
3,3-dimethyl-1-[(2-methylphenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione
CID 64900825
3,3-dimethyl-6-propan-2-yl-1-(4,4,4-trifluorobutyl)piperazine-2,5-dione
CID 115519251
6-butan-2-yl-3,3-dimethyl-1-[(1-methyltriazol-4-yl)methyl]piperazine-2,5-dione
CID 107056471
3,3-dimethyl-1-[2-(2-methylimidazol-1-yl)ethyl]-6-propan-2-ylpiperazine-2,5-dione
CID 64901017
1-[2-(cyclohexen-1-yl)ethyl]-3,3-dimethyl-6-propan-2-ylpiperazine-2,5-dione
CID 107851383
1-(3-chloro-2-methylprop-2-enyl)-3,3-dimethyl-6-propan-2-ylpiperazine-2,5-dione
CID 106440656
3-methyl-4-[(2-methyltetrazol-5-yl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 107056716
1-[(3-methoxyoxolan-3-yl)methyl]-3,3-dimethyl-6-propan-2-ylpiperazine-2,5-dione
CID 104766533

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-[(2-methyltetrazol-5-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 3,3-dimethyl-1-[(2-methyltetrazol-5-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione (CID 107056469) is 3,3-dimethyl-1-[(2-methyltetrazol-5-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 3,3-dimethyl-1-[(2-methyltetrazol-5-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 3,3-dimethyl-1-[(2-methyltetrazol-5-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione is CC(C)C1C(=O)NC(C)(C)C(=O)N1Cc1nnn(C)n1.
What is the InChIKey of 3,3-dimethyl-1-[(2-methyltetrazol-5-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione?
The InChIKey is VXOVLWDGRIBZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6O2/c1-7(2)9-10(19)13-12(3,4)11(20)18(9)6-8-14-16-17(5)15-8/h7,9H,6H2,1-5H3,(H,13,19).
What are the key properties of 3,3-dimethyl-1-[(2-methyltetrazol-5-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione?
3,3-dimethyl-1-[(2-methyltetrazol-5-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione has a molecular weight of 280.33 g/mol, XLogP of -0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-[(2-methyltetrazol-5-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 107056469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).