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

C7H13N5O3 — CID 63767021

IUPAC6-[2-(2-aminoethoxy)ethylamino]-2H-1,2,4-triazine-3,5-dione
SMILESNCCOCCNc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C7H13N5O3/c8-1-3-15-4-2-9-5-6(13)10-7(14)12-11-5/h1-4,8H2,(H,9,11)(H2,10,12,13,14)
InChIKeyDEUXEQWVZTZJJI-UHFFFAOYSA-N
MW215.21 g/mol
LogP-2.15
Rot. Bonds6

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

6-[2-(2-aminoethoxy)ethylamino]-2H-1,2,4-triazine-3,5-dione (PubChem CID 63767021) has the molecular formula C7H13N5O3 and a molecular weight of 215.21 g/mol. Its IUPAC name is 6-[2-(2-aminoethoxy)ethylamino]-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[2-(2-aminoethoxy)ethylamino]-2H-1,2,4-triazine-3,5-dione
PubChem CID63767021
Molecular FormulaC7H13N5O3
Molecular Weight215.21 g/mol
Exact Mass215.10
IUPAC Name6-[2-(2-aminoethoxy)ethylamino]-2H-1,2,4-triazine-3,5-dione
SMILESNCCOCCNc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C7H13N5O3/c8-1-3-15-4-2-9-5-6(13)10-7(14)12-11-5/h1-4,8H2,(H,9,11)(H2,10,12,13,14)
InChIKeyDEUXEQWVZTZJJI-UHFFFAOYSA-N
XLogP-2.15
TPSA125.89 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 5-2.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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-(2-aminoethoxy)ethylamino]-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[2-(2-aminoethoxy)ethylamino]-2H-1,2,4-triazine-3,5-dione (CID 63767021) is 6-[2-(2-aminoethoxy)ethylamino]-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[2-(2-aminoethoxy)ethylamino]-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[2-(2-aminoethoxy)ethylamino]-2H-1,2,4-triazine-3,5-dione is NCCOCCNc1n[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-[2-(2-aminoethoxy)ethylamino]-2H-1,2,4-triazine-3,5-dione?
The InChIKey is DEUXEQWVZTZJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5O3/c8-1-3-15-4-2-9-5-6(13)10-7(14)12-11-5/h1-4,8H2,(H,9,11)(H2,10,12,13,14).
What are the key properties of 6-[2-(2-aminoethoxy)ethylamino]-2H-1,2,4-triazine-3,5-dione?
6-[2-(2-aminoethoxy)ethylamino]-2H-1,2,4-triazine-3,5-dione has a molecular weight of 215.21 g/mol, XLogP of -2.15, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2-aminoethoxy)ethylamino]-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 63767021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).