6-[2-(2,2-difluoroethoxy)ethylamino]-2H-1,2,4-triazine-3,5-dione

C7H10F2N4O3 — CID 103081408

IUPAC6-[2-(2,2-difluoroethoxy)ethylamino]-2H-1,2,4-triazine-3,5-dione
SMILESO=c1[nH]nc(NCCOCC(F)F)c(=O)[nH]1
InChIInChI=1S/C7H10F2N4O3/c8-4(9)3-16-2-1-10-5-6(14)11-7(15)13-12-5/h4H,1-3H2,(H,10,12)(H2,11,13,14,15)
InChIKeyMNFFLFPSDFPUKF-UHFFFAOYSA-N
MW236.18 g/mol
LogP-0.85
Rot. Bonds6

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

6-[2-(2,2-difluoroethoxy)ethylamino]-2H-1,2,4-triazine-3,5-dione (PubChem CID 103081408) has the molecular formula C7H10F2N4O3 and a molecular weight of 236.18 g/mol. Its IUPAC name is 6-[2-(2,2-difluoroethoxy)ethylamino]-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[2-(2,2-difluoroethoxy)ethylamino]-2H-1,2,4-triazine-3,5-dione
PubChem CID103081408
Molecular FormulaC7H10F2N4O3
Molecular Weight236.18 g/mol
Exact Mass236.07
IUPAC Name6-[2-(2,2-difluoroethoxy)ethylamino]-2H-1,2,4-triazine-3,5-dione
SMILESO=c1[nH]nc(NCCOCC(F)F)c(=O)[nH]1
InChIInChI=1S/C7H10F2N4O3/c8-4(9)3-16-2-1-10-5-6(14)11-7(15)13-12-5/h4H,1-3H2,(H,10,12)(H2,11,13,14,15)
InChIKeyMNFFLFPSDFPUKF-UHFFFAOYSA-N
XLogP-0.85
TPSA99.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.18
LogP ≤ 5-0.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-[2-(2,2-difluoroethoxy)ethylamino]-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-(2,2-difluoroethoxy)ethylamino]-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[2-(2,2-difluoroethoxy)ethylamino]-2H-1,2,4-triazine-3,5-dione (CID 103081408) is 6-[2-(2,2-difluoroethoxy)ethylamino]-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[2-(2,2-difluoroethoxy)ethylamino]-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[2-(2,2-difluoroethoxy)ethylamino]-2H-1,2,4-triazine-3,5-dione is O=c1[nH]nc(NCCOCC(F)F)c(=O)[nH]1.
What is the InChIKey of 6-[2-(2,2-difluoroethoxy)ethylamino]-2H-1,2,4-triazine-3,5-dione?
The InChIKey is MNFFLFPSDFPUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2N4O3/c8-4(9)3-16-2-1-10-5-6(14)11-7(15)13-12-5/h4H,1-3H2,(H,10,12)(H2,11,13,14,15).
What are the key properties of 6-[2-(2,2-difluoroethoxy)ethylamino]-2H-1,2,4-triazine-3,5-dione?
6-[2-(2,2-difluoroethoxy)ethylamino]-2H-1,2,4-triazine-3,5-dione has a molecular weight of 236.18 g/mol, XLogP of -0.85, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2,2-difluoroethoxy)ethylamino]-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 103081408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).