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

C8H15N5O3 — CID 83030594

IUPAC6-[2-(2-methoxyethylamino)ethylamino]-2H-1,2,4-triazine-3,5-dione
SMILESCOCCNCCNc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C8H15N5O3/c1-16-5-4-9-2-3-10-6-7(14)11-8(15)13-12-6/h9H,2-5H2,1H3,(H,10,12)(H2,11,13,14,15)
InChIKeyZKHFJJXAKLKSTE-UHFFFAOYSA-N
MW229.24 g/mol
LogP-1.89
Rot. Bonds7

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

6-[2-(2-methoxyethylamino)ethylamino]-2H-1,2,4-triazine-3,5-dione (PubChem CID 83030594) has the molecular formula C8H15N5O3 and a molecular weight of 229.24 g/mol. Its IUPAC name is 6-[2-(2-methoxyethylamino)ethylamino]-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[2-(2-methoxyethylamino)ethylamino]-2H-1,2,4-triazine-3,5-dione
PubChem CID83030594
Molecular FormulaC8H15N5O3
Molecular Weight229.24 g/mol
Exact Mass229.12
IUPAC Name6-[2-(2-methoxyethylamino)ethylamino]-2H-1,2,4-triazine-3,5-dione
SMILESCOCCNCCNc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C8H15N5O3/c1-16-5-4-9-2-3-10-6-7(14)11-8(15)13-12-6/h9H,2-5H2,1H3,(H,10,12)(H2,11,13,14,15)
InChIKeyZKHFJJXAKLKSTE-UHFFFAOYSA-N
XLogP-1.89
TPSA111.90 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 5-1.89
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-methoxyethylamino)ethylamino]-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[2-(2-methoxyethylamino)ethylamino]-2H-1,2,4-triazine-3,5-dione (CID 83030594) is 6-[2-(2-methoxyethylamino)ethylamino]-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[2-(2-methoxyethylamino)ethylamino]-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[2-(2-methoxyethylamino)ethylamino]-2H-1,2,4-triazine-3,5-dione is COCCNCCNc1n[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-[2-(2-methoxyethylamino)ethylamino]-2H-1,2,4-triazine-3,5-dione?
The InChIKey is ZKHFJJXAKLKSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O3/c1-16-5-4-9-2-3-10-6-7(14)11-8(15)13-12-6/h9H,2-5H2,1H3,(H,10,12)(H2,11,13,14,15).
What are the key properties of 6-[2-(2-methoxyethylamino)ethylamino]-2H-1,2,4-triazine-3,5-dione?
6-[2-(2-methoxyethylamino)ethylamino]-2H-1,2,4-triazine-3,5-dione has a molecular weight of 229.24 g/mol, XLogP of -1.89, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2-methoxyethylamino)ethylamino]-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 83030594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).