6-(2-piperidin-4-yloxyethylamino)-2H-1,2,4-triazine-3,5-dione

C10H17N5O3 — CID 55251628

IUPAC6-(2-piperidin-4-yloxyethylamino)-2H-1,2,4-triazine-3,5-dione
SMILESO=c1[nH]nc(NCCOC2CCNCC2)c(=O)[nH]1
InChIInChI=1S/C10H17N5O3/c16-9-8(14-15-10(17)13-9)12-5-6-18-7-1-3-11-4-2-7/h7,11H,1-6H2,(H,12,14)(H2,13,15,16,17)
InChIKeyLJWUJSWRYMFLOC-UHFFFAOYSA-N
MW255.28 g/mol
LogP-1.36
Rot. Bonds5

About 6-(2-piperidin-4-yloxyethylamino)-2H-1,2,4-triazine-3,5-dione

6-(2-piperidin-4-yloxyethylamino)-2H-1,2,4-triazine-3,5-dione (PubChem CID 55251628) has the molecular formula C10H17N5O3 and a molecular weight of 255.28 g/mol. Its IUPAC name is 6-(2-piperidin-4-yloxyethylamino)-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-(2-piperidin-4-yloxyethylamino)-2H-1,2,4-triazine-3,5-dione
PubChem CID55251628
Molecular FormulaC10H17N5O3
Molecular Weight255.28 g/mol
Exact Mass255.13
IUPAC Name6-(2-piperidin-4-yloxyethylamino)-2H-1,2,4-triazine-3,5-dione
SMILESO=c1[nH]nc(NCCOC2CCNCC2)c(=O)[nH]1
InChIInChI=1S/C10H17N5O3/c16-9-8(14-15-10(17)13-9)12-5-6-18-7-1-3-11-4-2-7/h7,11H,1-6H2,(H,12,14)(H2,13,15,16,17)
InChIKeyLJWUJSWRYMFLOC-UHFFFAOYSA-N
XLogP-1.36
TPSA111.90 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 5-1.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-(2-piperidin-4-yloxyethylamino)-2H-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-(2-piperidin-4-yloxyethylamino)-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-(2-piperidin-4-yloxyethylamino)-2H-1,2,4-triazine-3,5-dione (CID 55251628) is 6-(2-piperidin-4-yloxyethylamino)-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-(2-piperidin-4-yloxyethylamino)-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-(2-piperidin-4-yloxyethylamino)-2H-1,2,4-triazine-3,5-dione is O=c1[nH]nc(NCCOC2CCNCC2)c(=O)[nH]1.
What is the InChIKey of 6-(2-piperidin-4-yloxyethylamino)-2H-1,2,4-triazine-3,5-dione?
The InChIKey is LJWUJSWRYMFLOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O3/c16-9-8(14-15-10(17)13-9)12-5-6-18-7-1-3-11-4-2-7/h7,11H,1-6H2,(H,12,14)(H2,13,15,16,17).
What are the key properties of 6-(2-piperidin-4-yloxyethylamino)-2H-1,2,4-triazine-3,5-dione?
6-(2-piperidin-4-yloxyethylamino)-2H-1,2,4-triazine-3,5-dione has a molecular weight of 255.28 g/mol, XLogP of -1.36, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-piperidin-4-yloxyethylamino)-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 55251628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).