4-methyl-6-morpholin-4-yl-2H-1,2,4-triazine-3,5-dione

C8H12N4O3 — CID 23272753

IUPAC4-methyl-6-morpholin-4-yl-2H-1,2,4-triazine-3,5-dione
SMILESCn1c(=O)[nH]nc(N2CCOCC2)c1=O
InChIInChI=1S/C8H12N4O3/c1-11-7(13)6(9-10-8(11)14)12-2-4-15-5-3-12/h2-5H2,1H3,(H,10,14)
InChIKeyVKAFDHGEMBSSON-UHFFFAOYSA-N
MW212.21 g/mol
LogP-1.69
Rot. Bonds1

About 4-methyl-6-morpholin-4-yl-2H-1,2,4-triazine-3,5-dione

4-methyl-6-morpholin-4-yl-2H-1,2,4-triazine-3,5-dione (PubChem CID 23272753) has the molecular formula C8H12N4O3 and a molecular weight of 212.21 g/mol. Its IUPAC name is 4-methyl-6-morpholin-4-yl-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name4-methyl-6-morpholin-4-yl-2H-1,2,4-triazine-3,5-dione
PubChem CID23272753
Molecular FormulaC8H12N4O3
Molecular Weight212.21 g/mol
Exact Mass212.09
IUPAC Name4-methyl-6-morpholin-4-yl-2H-1,2,4-triazine-3,5-dione
SMILESCn1c(=O)[nH]nc(N2CCOCC2)c1=O
InChIInChI=1S/C8H12N4O3/c1-11-7(13)6(9-10-8(11)14)12-2-4-15-5-3-12/h2-5H2,1H3,(H,10,14)
InChIKeyVKAFDHGEMBSSON-UHFFFAOYSA-N
XLogP-1.69
TPSA80.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 5-1.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-methyl-6-morpholin-4-yl-2H-1,2,4-triazine-3,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-morpholin-4-yl-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 4-methyl-6-morpholin-4-yl-2H-1,2,4-triazine-3,5-dione (CID 23272753) is 4-methyl-6-morpholin-4-yl-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 4-methyl-6-morpholin-4-yl-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 4-methyl-6-morpholin-4-yl-2H-1,2,4-triazine-3,5-dione is Cn1c(=O)[nH]nc(N2CCOCC2)c1=O.
What is the InChIKey of 4-methyl-6-morpholin-4-yl-2H-1,2,4-triazine-3,5-dione?
The InChIKey is VKAFDHGEMBSSON-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O3/c1-11-7(13)6(9-10-8(11)14)12-2-4-15-5-3-12/h2-5H2,1H3,(H,10,14).
What are the key properties of 4-methyl-6-morpholin-4-yl-2H-1,2,4-triazine-3,5-dione?
4-methyl-6-morpholin-4-yl-2H-1,2,4-triazine-3,5-dione has a molecular weight of 212.21 g/mol, XLogP of -1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-morpholin-4-yl-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 23272753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).