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

C11H18N4O3 — CID 61064217

IUPAC6-(2-cyclohexyloxyethylamino)-2H-1,2,4-triazine-3,5-dione
SMILESO=c1[nH]nc(NCCOC2CCCCC2)c(=O)[nH]1
InChIInChI=1S/C11H18N4O3/c16-10-9(14-15-11(17)13-10)12-6-7-18-8-4-2-1-3-5-8/h8H,1-7H2,(H,12,14)(H2,13,15,16,17)
InChIKeyXVLZNBJUZOOMQX-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.22
Rot. Bonds5

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

6-(2-cyclohexyloxyethylamino)-2H-1,2,4-triazine-3,5-dione (PubChem CID 61064217) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 6-(2-cyclohexyloxyethylamino)-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-(2-cyclohexyloxyethylamino)-2H-1,2,4-triazine-3,5-dione
PubChem CID61064217
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name6-(2-cyclohexyloxyethylamino)-2H-1,2,4-triazine-3,5-dione
SMILESO=c1[nH]nc(NCCOC2CCCCC2)c(=O)[nH]1
InChIInChI=1S/C11H18N4O3/c16-10-9(14-15-11(17)13-10)12-6-7-18-8-4-2-1-3-5-8/h8H,1-7H2,(H,12,14)(H2,13,15,16,17)
InChIKeyXVLZNBJUZOOMQX-UHFFFAOYSA-N
XLogP0.22
TPSA99.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(2-cyclohexyloxyethylamino)-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-(2-cyclohexyloxyethylamino)-2H-1,2,4-triazine-3,5-dione (CID 61064217) is 6-(2-cyclohexyloxyethylamino)-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-(2-cyclohexyloxyethylamino)-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-(2-cyclohexyloxyethylamino)-2H-1,2,4-triazine-3,5-dione is O=c1[nH]nc(NCCOC2CCCCC2)c(=O)[nH]1.
What is the InChIKey of 6-(2-cyclohexyloxyethylamino)-2H-1,2,4-triazine-3,5-dione?
The InChIKey is XVLZNBJUZOOMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c16-10-9(14-15-11(17)13-10)12-6-7-18-8-4-2-1-3-5-8/h8H,1-7H2,(H,12,14)(H2,13,15,16,17).
What are the key properties of 6-(2-cyclohexyloxyethylamino)-2H-1,2,4-triazine-3,5-dione?
6-(2-cyclohexyloxyethylamino)-2H-1,2,4-triazine-3,5-dione has a molecular weight of 254.29 g/mol, XLogP of 0.22, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-cyclohexyloxyethylamino)-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 61064217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).