4-methyl-2-[2-oxo-2-(2,4,5-trimethylpiperazin-1-yl)ethyl]-1,2,4-triazol-3-one

C12H21N5O2 — CID 136521403

IUPAC4-methyl-2-[2-oxo-2-(2,4,5-trimethylpiperazin-1-yl)ethyl]-1,2,4-triazol-3-one
SMILESCC1CN(C(=O)Cn2ncn(C)c2=O)C(C)CN1C
InChIInChI=1S/C12H21N5O2/c1-9-6-16(10(2)5-14(9)3)11(18)7-17-12(19)15(4)8-13-17/h8-10H,5-7H2,1-4H3
InChIKeyLCNDTTZAQZPBMR-UHFFFAOYSA-N
MW267.33 g/mol
LogP-0.87
Rot. Bonds2

About 4-methyl-2-[2-oxo-2-(2,4,5-trimethylpiperazin-1-yl)ethyl]-1,2,4-triazol-3-one

4-methyl-2-[2-oxo-2-(2,4,5-trimethylpiperazin-1-yl)ethyl]-1,2,4-triazol-3-one (PubChem CID 136521403) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 4-methyl-2-[2-oxo-2-(2,4,5-trimethylpiperazin-1-yl)ethyl]-1,2,4-triazol-3-one.

Molecular Properties

Compound Name4-methyl-2-[2-oxo-2-(2,4,5-trimethylpiperazin-1-yl)ethyl]-1,2,4-triazol-3-one
PubChem CID136521403
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC Name4-methyl-2-[2-oxo-2-(2,4,5-trimethylpiperazin-1-yl)ethyl]-1,2,4-triazol-3-one
SMILESCC1CN(C(=O)Cn2ncn(C)c2=O)C(C)CN1C
InChIInChI=1S/C12H21N5O2/c1-9-6-16(10(2)5-14(9)3)11(18)7-17-12(19)15(4)8-13-17/h8-10H,5-7H2,1-4H3
InChIKeyLCNDTTZAQZPBMR-UHFFFAOYSA-N
XLogP-0.87
TPSA63.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 5-0.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-methyl-2-[2-oxo-2-(2,4,5-trimethylpiperazin-1-yl)ethyl]-1,2,4-triazol-3-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 4-methyl-2-[2-oxo-2-(2,4,5-trimethylpiperazin-1-yl)ethyl]-1,2,4-triazol-3-one?
The IUPAC name of 4-methyl-2-[2-oxo-2-(2,4,5-trimethylpiperazin-1-yl)ethyl]-1,2,4-triazol-3-one (CID 136521403) is 4-methyl-2-[2-oxo-2-(2,4,5-trimethylpiperazin-1-yl)ethyl]-1,2,4-triazol-3-one.
What is the SMILES notation for 4-methyl-2-[2-oxo-2-(2,4,5-trimethylpiperazin-1-yl)ethyl]-1,2,4-triazol-3-one?
The canonical SMILES for 4-methyl-2-[2-oxo-2-(2,4,5-trimethylpiperazin-1-yl)ethyl]-1,2,4-triazol-3-one is CC1CN(C(=O)Cn2ncn(C)c2=O)C(C)CN1C.
What is the InChIKey of 4-methyl-2-[2-oxo-2-(2,4,5-trimethylpiperazin-1-yl)ethyl]-1,2,4-triazol-3-one?
The InChIKey is LCNDTTZAQZPBMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-9-6-16(10(2)5-14(9)3)11(18)7-17-12(19)15(4)8-13-17/h8-10H,5-7H2,1-4H3.
What are the key properties of 4-methyl-2-[2-oxo-2-(2,4,5-trimethylpiperazin-1-yl)ethyl]-1,2,4-triazol-3-one?
4-methyl-2-[2-oxo-2-(2,4,5-trimethylpiperazin-1-yl)ethyl]-1,2,4-triazol-3-one has a molecular weight of 267.33 g/mol, XLogP of -0.87, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[2-oxo-2-(2,4,5-trimethylpiperazin-1-yl)ethyl]-1,2,4-triazol-3-one is sourced from PubChem (CID 136521403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).