3-methyl-1-(2-methylpropyl)-4-(2H-triazole-4-carbonyl)piperazin-2-one

C12H19N5O2 — CID 139009969

IUPAC3-methyl-1-(2-methylpropyl)-4-(2H-triazole-4-carbonyl)piperazin-2-one
SMILESCC(C)CN1CCN(C(=O)c2cn[nH]n2)C(C)C1=O
InChIInChI=1S/C12H19N5O2/c1-8(2)7-16-4-5-17(9(3)11(16)18)12(19)10-6-13-15-14-10/h6,8-9H,4-5,7H2,1-3H3,(H,13,14,15)
InChIKeyXHWNOALXJKNNDP-UHFFFAOYSA-N
MW265.32 g/mol
LogP0.13
Rot. Bonds3

About 3-methyl-1-(2-methylpropyl)-4-(2H-triazole-4-carbonyl)piperazin-2-one

3-methyl-1-(2-methylpropyl)-4-(2H-triazole-4-carbonyl)piperazin-2-one (PubChem CID 139009969) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is 3-methyl-1-(2-methylpropyl)-4-(2H-triazole-4-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name3-methyl-1-(2-methylpropyl)-4-(2H-triazole-4-carbonyl)piperazin-2-one
PubChem CID139009969
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Name3-methyl-1-(2-methylpropyl)-4-(2H-triazole-4-carbonyl)piperazin-2-one
SMILESCC(C)CN1CCN(C(=O)c2cn[nH]n2)C(C)C1=O
InChIInChI=1S/C12H19N5O2/c1-8(2)7-16-4-5-17(9(3)11(16)18)12(19)10-6-13-15-14-10/h6,8-9H,4-5,7H2,1-3H3,(H,13,14,15)
InChIKeyXHWNOALXJKNNDP-UHFFFAOYSA-N
XLogP0.13
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-methyl-1-(2-methylpropyl)-4-(2H-triazole-4-carbonyl)piperazin-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-methylpropyl)-4-(2H-triazole-4-carbonyl)piperazin-2-one?
The IUPAC name of 3-methyl-1-(2-methylpropyl)-4-(2H-triazole-4-carbonyl)piperazin-2-one (CID 139009969) is 3-methyl-1-(2-methylpropyl)-4-(2H-triazole-4-carbonyl)piperazin-2-one.
What is the SMILES notation for 3-methyl-1-(2-methylpropyl)-4-(2H-triazole-4-carbonyl)piperazin-2-one?
The canonical SMILES for 3-methyl-1-(2-methylpropyl)-4-(2H-triazole-4-carbonyl)piperazin-2-one is CC(C)CN1CCN(C(=O)c2cn[nH]n2)C(C)C1=O.
What is the InChIKey of 3-methyl-1-(2-methylpropyl)-4-(2H-triazole-4-carbonyl)piperazin-2-one?
The InChIKey is XHWNOALXJKNNDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-8(2)7-16-4-5-17(9(3)11(16)18)12(19)10-6-13-15-14-10/h6,8-9H,4-5,7H2,1-3H3,(H,13,14,15).
What are the key properties of 3-methyl-1-(2-methylpropyl)-4-(2H-triazole-4-carbonyl)piperazin-2-one?
3-methyl-1-(2-methylpropyl)-4-(2H-triazole-4-carbonyl)piperazin-2-one has a molecular weight of 265.32 g/mol, XLogP of 0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-methylpropyl)-4-(2H-triazole-4-carbonyl)piperazin-2-one is sourced from PubChem (CID 139009969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).