6-[4-(2-hydroxyethyl)piperazin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione

C11H19N5O3 — CID 60658946

IUPAC6-[4-(2-hydroxyethyl)piperazin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCn1nc(N2CCN(CCO)CC2)c(=O)n(C)c1=O
InChIInChI=1S/C11H19N5O3/c1-13-10(18)9(12-14(2)11(13)19)16-5-3-15(4-6-16)7-8-17/h17H,3-8H2,1-2H3
InChIKeyOTSYKBKPBGEHJC-UHFFFAOYSA-N
MW269.30 g/mol
LogP-2.41
Rot. Bonds3

About 6-[4-(2-hydroxyethyl)piperazin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione

6-[4-(2-hydroxyethyl)piperazin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione (PubChem CID 60658946) has the molecular formula C11H19N5O3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 6-[4-(2-hydroxyethyl)piperazin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[4-(2-hydroxyethyl)piperazin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione
PubChem CID60658946
Molecular FormulaC11H19N5O3
Molecular Weight269.30 g/mol
Exact Mass269.15
IUPAC Name6-[4-(2-hydroxyethyl)piperazin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCn1nc(N2CCN(CCO)CC2)c(=O)n(C)c1=O
InChIInChI=1S/C11H19N5O3/c1-13-10(18)9(12-14(2)11(13)19)16-5-3-15(4-6-16)7-8-17/h17H,3-8H2,1-2H3
InChIKeyOTSYKBKPBGEHJC-UHFFFAOYSA-N
XLogP-2.41
TPSA83.60 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 5-2.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-[4-(2-hydroxyethyl)piperazin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-hydroxyethyl)piperazin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[4-(2-hydroxyethyl)piperazin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione (CID 60658946) is 6-[4-(2-hydroxyethyl)piperazin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[4-(2-hydroxyethyl)piperazin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[4-(2-hydroxyethyl)piperazin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione is Cn1nc(N2CCN(CCO)CC2)c(=O)n(C)c1=O.
What is the InChIKey of 6-[4-(2-hydroxyethyl)piperazin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The InChIKey is OTSYKBKPBGEHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O3/c1-13-10(18)9(12-14(2)11(13)19)16-5-3-15(4-6-16)7-8-17/h17H,3-8H2,1-2H3.
What are the key properties of 6-[4-(2-hydroxyethyl)piperazin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
6-[4-(2-hydroxyethyl)piperazin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione has a molecular weight of 269.30 g/mol, XLogP of -2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-hydroxyethyl)piperazin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 60658946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).