6-methyl-1-[(1-methyltriazol-4-yl)methyl]-3-propylpiperazine-2,5-dione

C12H19N5O2 — CID 107056389

IUPAC6-methyl-1-[(1-methyltriazol-4-yl)methyl]-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)C(C)N(Cc2cn(C)nn2)C1=O
InChIInChI=1S/C12H19N5O2/c1-4-5-10-12(19)17(8(2)11(18)13-10)7-9-6-16(3)15-14-9/h6,8,10H,4-5,7H2,1-3H3,(H,13,18)
InChIKeyRWEDXWOURDGUDY-UHFFFAOYSA-N
MW265.32 g/mol
LogP-0.17
Rot. Bonds4

About 6-methyl-1-[(1-methyltriazol-4-yl)methyl]-3-propylpiperazine-2,5-dione

6-methyl-1-[(1-methyltriazol-4-yl)methyl]-3-propylpiperazine-2,5-dione (PubChem CID 107056389) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is 6-methyl-1-[(1-methyltriazol-4-yl)methyl]-3-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name6-methyl-1-[(1-methyltriazol-4-yl)methyl]-3-propylpiperazine-2,5-dione
PubChem CID107056389
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Name6-methyl-1-[(1-methyltriazol-4-yl)methyl]-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)C(C)N(Cc2cn(C)nn2)C1=O
InChIInChI=1S/C12H19N5O2/c1-4-5-10-12(19)17(8(2)11(18)13-10)7-9-6-16(3)15-14-9/h6,8,10H,4-5,7H2,1-3H3,(H,13,18)
InChIKeyRWEDXWOURDGUDY-UHFFFAOYSA-N
XLogP-0.17
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-methyl-1-[(1-methyltriazol-4-yl)methyl]-3-propylpiperazine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-methyl-1-[(1-methylpyrazol-3-yl)methyl]-3-propylpiperazine-2,5-dione
CID 82870546
6-methyl-1-[(1-methylimidazol-2-yl)methyl]-3-propylpiperazine-2,5-dione
CID 64971031
1-(2-fluoroethyl)-6-methyl-3-propylpiperazine-2,5-dione
CID 80698044
1-[(2-chlorophenyl)methyl]-6-methyl-3-propylpiperazine-2,5-dione
CID 64873550
6-methyl-1-(1-methylpyrazol-4-yl)-3-propylpiperazine-2,5-dione
CID 64960563
6-methyl-3-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine-2,5-dione
CID 116627626
1-[(5-bromo-2-fluorophenyl)methyl]-6-methyl-3-propylpiperazine-2,5-dione
CID 64873353
1-cyclopropyl-6-methyl-3-propylpiperazine-2,5-dione
CID 64958390
3-ethyl-6-methyl-1-(pyridin-2-ylmethyl)piperazine-2,5-dione
CID 64901440
6-methyl-1-[2-(3-methylbutoxy)ethyl]-3-propylpiperazine-2,5-dione
CID 64872765
1,3,6-tripropylpiperazine-2,5-dione
CID 64873955
1-cyclobutyl-6-methyl-3-propylpiperazine-2,5-dione
CID 64969413

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-[(1-methyltriazol-4-yl)methyl]-3-propylpiperazine-2,5-dione?
The IUPAC name of 6-methyl-1-[(1-methyltriazol-4-yl)methyl]-3-propylpiperazine-2,5-dione (CID 107056389) is 6-methyl-1-[(1-methyltriazol-4-yl)methyl]-3-propylpiperazine-2,5-dione.
What is the SMILES notation for 6-methyl-1-[(1-methyltriazol-4-yl)methyl]-3-propylpiperazine-2,5-dione?
The canonical SMILES for 6-methyl-1-[(1-methyltriazol-4-yl)methyl]-3-propylpiperazine-2,5-dione is CCCC1NC(=O)C(C)N(Cc2cn(C)nn2)C1=O.
What is the InChIKey of 6-methyl-1-[(1-methyltriazol-4-yl)methyl]-3-propylpiperazine-2,5-dione?
The InChIKey is RWEDXWOURDGUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-4-5-10-12(19)17(8(2)11(18)13-10)7-9-6-16(3)15-14-9/h6,8,10H,4-5,7H2,1-3H3,(H,13,18).
What are the key properties of 6-methyl-1-[(1-methyltriazol-4-yl)methyl]-3-propylpiperazine-2,5-dione?
6-methyl-1-[(1-methyltriazol-4-yl)methyl]-3-propylpiperazine-2,5-dione has a molecular weight of 265.32 g/mol, XLogP of -0.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-[(1-methyltriazol-4-yl)methyl]-3-propylpiperazine-2,5-dione is sourced from PubChem (CID 107056389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).