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

C9H17N5O3 — CID 62844169

IUPAC6-[2-[2-methoxyethyl(methyl)amino]ethylamino]-2H-1,2,4-triazine-3,5-dione
SMILESCOCCN(C)CCNc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C9H17N5O3/c1-14(5-6-17-2)4-3-10-7-8(15)11-9(16)13-12-7/h3-6H2,1-2H3,(H,10,12)(H2,11,13,15,16)
InChIKeyVLXFTIUAXPAWLN-UHFFFAOYSA-N
MW243.27 g/mol
LogP-1.55
Rot. Bonds7

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

6-[2-[2-methoxyethyl(methyl)amino]ethylamino]-2H-1,2,4-triazine-3,5-dione (PubChem CID 62844169) has the molecular formula C9H17N5O3 and a molecular weight of 243.27 g/mol. Its IUPAC name is 6-[2-[2-methoxyethyl(methyl)amino]ethylamino]-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[2-[2-methoxyethyl(methyl)amino]ethylamino]-2H-1,2,4-triazine-3,5-dione
PubChem CID62844169
Molecular FormulaC9H17N5O3
Molecular Weight243.27 g/mol
Exact Mass243.13
IUPAC Name6-[2-[2-methoxyethyl(methyl)amino]ethylamino]-2H-1,2,4-triazine-3,5-dione
SMILESCOCCN(C)CCNc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C9H17N5O3/c1-14(5-6-17-2)4-3-10-7-8(15)11-9(16)13-12-7/h3-6H2,1-2H3,(H,10,12)(H2,11,13,15,16)
InChIKeyVLXFTIUAXPAWLN-UHFFFAOYSA-N
XLogP-1.55
TPSA103.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 5-1.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[2-methoxyethyl(methyl)amino]ethylamino]-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[2-[2-methoxyethyl(methyl)amino]ethylamino]-2H-1,2,4-triazine-3,5-dione (CID 62844169) is 6-[2-[2-methoxyethyl(methyl)amino]ethylamino]-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[2-[2-methoxyethyl(methyl)amino]ethylamino]-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[2-[2-methoxyethyl(methyl)amino]ethylamino]-2H-1,2,4-triazine-3,5-dione is COCCN(C)CCNc1n[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-[2-[2-methoxyethyl(methyl)amino]ethylamino]-2H-1,2,4-triazine-3,5-dione?
The InChIKey is VLXFTIUAXPAWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O3/c1-14(5-6-17-2)4-3-10-7-8(15)11-9(16)13-12-7/h3-6H2,1-2H3,(H,10,12)(H2,11,13,15,16).
What are the key properties of 6-[2-[2-methoxyethyl(methyl)amino]ethylamino]-2H-1,2,4-triazine-3,5-dione?
6-[2-[2-methoxyethyl(methyl)amino]ethylamino]-2H-1,2,4-triazine-3,5-dione has a molecular weight of 243.27 g/mol, XLogP of -1.55, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[2-methoxyethyl(methyl)amino]ethylamino]-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 62844169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).