6-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-2H-1,2,4-triazine-3,5-dione

C10H16N6O3 — CID 54904326

IUPAC6-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-2H-1,2,4-triazine-3,5-dione
SMILESCN(CC(=O)N1CCNCC1)c1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C10H16N6O3/c1-15(8-9(18)12-10(19)14-13-8)6-7(17)16-4-2-11-3-5-16/h11H,2-6H2,1H3,(H2,12,14,18,19)
InChIKeyFADVDHSTTUHMGL-UHFFFAOYSA-N
MW268.28 g/mol
LogP-2.67
Rot. Bonds3

About 6-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-2H-1,2,4-triazine-3,5-dione

6-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-2H-1,2,4-triazine-3,5-dione (PubChem CID 54904326) has the molecular formula C10H16N6O3 and a molecular weight of 268.28 g/mol. Its IUPAC name is 6-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-2H-1,2,4-triazine-3,5-dione
PubChem CID54904326
Molecular FormulaC10H16N6O3
Molecular Weight268.28 g/mol
Exact Mass268.13
IUPAC Name6-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-2H-1,2,4-triazine-3,5-dione
SMILESCN(CC(=O)N1CCNCC1)c1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C10H16N6O3/c1-15(8-9(18)12-10(19)14-13-8)6-7(17)16-4-2-11-3-5-16/h11H,2-6H2,1H3,(H2,12,14,18,19)
InChIKeyFADVDHSTTUHMGL-UHFFFAOYSA-N
XLogP-2.67
TPSA114.19 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 5-2.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-2H-1,2,4-triazine-3,5-dione (CID 54904326) is 6-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-2H-1,2,4-triazine-3,5-dione is CN(CC(=O)N1CCNCC1)c1n[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-2H-1,2,4-triazine-3,5-dione?
The InChIKey is FADVDHSTTUHMGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6O3/c1-15(8-9(18)12-10(19)14-13-8)6-7(17)16-4-2-11-3-5-16/h11H,2-6H2,1H3,(H2,12,14,18,19).
What are the key properties of 6-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-2H-1,2,4-triazine-3,5-dione?
6-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-2H-1,2,4-triazine-3,5-dione has a molecular weight of 268.28 g/mol, XLogP of -2.67, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 54904326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).