6-[ethyl(2-hydroxyethyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione

C9H16N4O3 — CID 60658668

IUPAC6-[ethyl(2-hydroxyethyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCCN(CCO)c1nn(C)c(=O)n(C)c1=O
InChIInChI=1S/C9H16N4O3/c1-4-13(5-6-14)7-8(15)11(2)9(16)12(3)10-7/h14H,4-6H2,1-3H3
InChIKeyLMABYIXWWCQJFC-UHFFFAOYSA-N
MW228.25 g/mol
LogP-1.70
Rot. Bonds4

About 6-[ethyl(2-hydroxyethyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione

6-[ethyl(2-hydroxyethyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione (PubChem CID 60658668) has the molecular formula C9H16N4O3 and a molecular weight of 228.25 g/mol. Its IUPAC name is 6-[ethyl(2-hydroxyethyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[ethyl(2-hydroxyethyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
PubChem CID60658668
Molecular FormulaC9H16N4O3
Molecular Weight228.25 g/mol
Exact Mass228.12
IUPAC Name6-[ethyl(2-hydroxyethyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCCN(CCO)c1nn(C)c(=O)n(C)c1=O
InChIInChI=1S/C9H16N4O3/c1-4-13(5-6-14)7-8(15)11(2)9(16)12(3)10-7/h14H,4-6H2,1-3H3
InChIKeyLMABYIXWWCQJFC-UHFFFAOYSA-N
XLogP-1.70
TPSA80.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-1.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[ethyl(2-hydroxyethyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[ethyl(2-hydroxyethyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione (CID 60658668) is 6-[ethyl(2-hydroxyethyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[ethyl(2-hydroxyethyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[ethyl(2-hydroxyethyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione is CCN(CCO)c1nn(C)c(=O)n(C)c1=O.
What is the InChIKey of 6-[ethyl(2-hydroxyethyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The InChIKey is LMABYIXWWCQJFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O3/c1-4-13(5-6-14)7-8(15)11(2)9(16)12(3)10-7/h14H,4-6H2,1-3H3.
What are the key properties of 6-[ethyl(2-hydroxyethyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
6-[ethyl(2-hydroxyethyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione has a molecular weight of 228.25 g/mol, XLogP of -1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[ethyl(2-hydroxyethyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 60658668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).