6-[2-(methylamino)ethoxy]-2H-1,2,4-triazine-3,5-dione

C6H10N4O3 — CID 62347934

IUPAC6-[2-(methylamino)ethoxy]-2H-1,2,4-triazine-3,5-dione
SMILESCNCCOc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C6H10N4O3/c1-7-2-3-13-5-4(11)8-6(12)10-9-5/h7H,2-3H2,1H3,(H2,8,10,11,12)
InChIKeyWJDVCVAQKGSJKW-UHFFFAOYSA-N
MW186.17 g/mol
LogP-1.94
Rot. Bonds4

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

6-[2-(methylamino)ethoxy]-2H-1,2,4-triazine-3,5-dione (PubChem CID 62347934) has the molecular formula C6H10N4O3 and a molecular weight of 186.17 g/mol. Its IUPAC name is 6-[2-(methylamino)ethoxy]-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[2-(methylamino)ethoxy]-2H-1,2,4-triazine-3,5-dione
PubChem CID62347934
Molecular FormulaC6H10N4O3
Molecular Weight186.17 g/mol
Exact Mass186.08
IUPAC Name6-[2-(methylamino)ethoxy]-2H-1,2,4-triazine-3,5-dione
SMILESCNCCOc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C6H10N4O3/c1-7-2-3-13-5-4(11)8-6(12)10-9-5/h7H,2-3H2,1H3,(H2,8,10,11,12)
InChIKeyWJDVCVAQKGSJKW-UHFFFAOYSA-N
XLogP-1.94
TPSA99.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.17
LogP ≤ 5-1.94
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-(methylamino)ethoxy]-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[2-(methylamino)ethoxy]-2H-1,2,4-triazine-3,5-dione (CID 62347934) is 6-[2-(methylamino)ethoxy]-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[2-(methylamino)ethoxy]-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[2-(methylamino)ethoxy]-2H-1,2,4-triazine-3,5-dione is CNCCOc1n[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-[2-(methylamino)ethoxy]-2H-1,2,4-triazine-3,5-dione?
The InChIKey is WJDVCVAQKGSJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O3/c1-7-2-3-13-5-4(11)8-6(12)10-9-5/h7H,2-3H2,1H3,(H2,8,10,11,12).
What are the key properties of 6-[2-(methylamino)ethoxy]-2H-1,2,4-triazine-3,5-dione?
6-[2-(methylamino)ethoxy]-2H-1,2,4-triazine-3,5-dione has a molecular weight of 186.17 g/mol, XLogP of -1.94, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(methylamino)ethoxy]-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 62347934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).