6-[2-(4-aminocyclohexyl)oxyethylamino]-2H-1,2,4-triazine-3,5-dione

C11H19N5O3 — CID 55250890

IUPAC6-[2-(4-aminocyclohexyl)oxyethylamino]-2H-1,2,4-triazine-3,5-dione
SMILESNC1CCC(OCCNc2n[nH]c(=O)[nH]c2=O)CC1
InChIInChI=1S/C11H19N5O3/c12-7-1-3-8(4-2-7)19-6-5-13-9-10(17)14-11(18)16-15-9/h7-8H,1-6,12H2,(H,13,15)(H2,14,16,17,18)
InChIKeyAFQYJBRLRYUUSJ-UHFFFAOYSA-N
MW269.30 g/mol
LogP-0.84
Rot. Bonds5

About 6-[2-(4-aminocyclohexyl)oxyethylamino]-2H-1,2,4-triazine-3,5-dione

6-[2-(4-aminocyclohexyl)oxyethylamino]-2H-1,2,4-triazine-3,5-dione (PubChem CID 55250890) has the molecular formula C11H19N5O3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 6-[2-(4-aminocyclohexyl)oxyethylamino]-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[2-(4-aminocyclohexyl)oxyethylamino]-2H-1,2,4-triazine-3,5-dione
PubChem CID55250890
Molecular FormulaC11H19N5O3
Molecular Weight269.30 g/mol
Exact Mass269.15
IUPAC Name6-[2-(4-aminocyclohexyl)oxyethylamino]-2H-1,2,4-triazine-3,5-dione
SMILESNC1CCC(OCCNc2n[nH]c(=O)[nH]c2=O)CC1
InChIInChI=1S/C11H19N5O3/c12-7-1-3-8(4-2-7)19-6-5-13-9-10(17)14-11(18)16-15-9/h7-8H,1-6,12H2,(H,13,15)(H2,14,16,17,18)
InChIKeyAFQYJBRLRYUUSJ-UHFFFAOYSA-N
XLogP-0.84
TPSA125.89 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 5-0.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-[2-(4-aminocyclohexyl)oxyethylamino]-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-(4-aminocyclohexyl)oxyethylamino]-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[2-(4-aminocyclohexyl)oxyethylamino]-2H-1,2,4-triazine-3,5-dione (CID 55250890) is 6-[2-(4-aminocyclohexyl)oxyethylamino]-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[2-(4-aminocyclohexyl)oxyethylamino]-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[2-(4-aminocyclohexyl)oxyethylamino]-2H-1,2,4-triazine-3,5-dione is NC1CCC(OCCNc2n[nH]c(=O)[nH]c2=O)CC1.
What is the InChIKey of 6-[2-(4-aminocyclohexyl)oxyethylamino]-2H-1,2,4-triazine-3,5-dione?
The InChIKey is AFQYJBRLRYUUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O3/c12-7-1-3-8(4-2-7)19-6-5-13-9-10(17)14-11(18)16-15-9/h7-8H,1-6,12H2,(H,13,15)(H2,14,16,17,18).
What are the key properties of 6-[2-(4-aminocyclohexyl)oxyethylamino]-2H-1,2,4-triazine-3,5-dione?
6-[2-(4-aminocyclohexyl)oxyethylamino]-2H-1,2,4-triazine-3,5-dione has a molecular weight of 269.30 g/mol, XLogP of -0.84, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-aminocyclohexyl)oxyethylamino]-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 55250890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).