methyl 4-(3,5-dioxo-2H-1,2,4-triazin-6-yl)morpholine-3-carboxylate

C9H12N4O5 — CID 104775327

IUPACmethyl 4-(3,5-dioxo-2H-1,2,4-triazin-6-yl)morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1c1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C9H12N4O5/c1-17-8(15)5-4-18-3-2-13(5)6-7(14)10-9(16)12-11-6/h5H,2-4H2,1H3,(H2,10,12,14,16)
InChIKeyDZGWLUHVGSAMMW-UHFFFAOYSA-N
MW256.22 g/mol
LogP-2.16
Rot. Bonds2

About methyl 4-(3,5-dioxo-2H-1,2,4-triazin-6-yl)morpholine-3-carboxylate

methyl 4-(3,5-dioxo-2H-1,2,4-triazin-6-yl)morpholine-3-carboxylate (PubChem CID 104775327) has the molecular formula C9H12N4O5 and a molecular weight of 256.22 g/mol. Its IUPAC name is methyl 4-(3,5-dioxo-2H-1,2,4-triazin-6-yl)morpholine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(3,5-dioxo-2H-1,2,4-triazin-6-yl)morpholine-3-carboxylate
PubChem CID104775327
Molecular FormulaC9H12N4O5
Molecular Weight256.22 g/mol
Exact Mass256.08
IUPAC Namemethyl 4-(3,5-dioxo-2H-1,2,4-triazin-6-yl)morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1c1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C9H12N4O5/c1-17-8(15)5-4-18-3-2-13(5)6-7(14)10-9(16)12-11-6/h5H,2-4H2,1H3,(H2,10,12,14,16)
InChIKeyDZGWLUHVGSAMMW-UHFFFAOYSA-N
XLogP-2.16
TPSA117.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.22
LogP ≤ 5-2.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 4-(3,5-dioxo-2H-1,2,4-triazin-6-yl)morpholine-3-carboxylate with MolForge

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Related Compounds

methyl 4-(3-methylpyrazin-2-yl)morpholine-3-carboxylate
CID 104775194
methyl 4-(3-chloro-2-pyridinyl)morpholine-3-carboxylate
CID 104775121
methyl 4-(3-bromo-2-pyridinyl)morpholine-3-carboxylate
CID 104775122
methyl 4-(5-fluoropyrimidin-2-yl)morpholine-3-carboxylate
CID 104775170
methyl 4-(3-cyano-6-methyl-2-pyridinyl)morpholine-3-carboxylate
CID 104774583
methyl 4-(3-methyl-5-nitro-2-pyridinyl)morpholine-3-carboxylate
CID 104775304
methyl 4-phthalazin-1-ylmorpholine-3-carboxylate
CID 104775256
ethane;methyl 4-methylmorpholine-3-carboxylate
CID 144576536
methyl 4-(4-amino-5-propyl-1H-pyrazole-3-carbonyl)morpholine-3-carboxylate
CID 104774373
methyl 4-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]morpholine-3-carboxylate
CID 115670521
methyl 4-(4-chloro-1,3-thiazol-2-yl)morpholine-3-carboxylate
CID 104775148
methyl 4-(6-acetyl-3-pyridinyl)morpholine-3-carboxylate
CID 104775209

Frequently Asked Questions

What is the IUPAC name of methyl 4-(3,5-dioxo-2H-1,2,4-triazin-6-yl)morpholine-3-carboxylate?
The IUPAC name of methyl 4-(3,5-dioxo-2H-1,2,4-triazin-6-yl)morpholine-3-carboxylate (CID 104775327) is methyl 4-(3,5-dioxo-2H-1,2,4-triazin-6-yl)morpholine-3-carboxylate.
What is the SMILES notation for methyl 4-(3,5-dioxo-2H-1,2,4-triazin-6-yl)morpholine-3-carboxylate?
The canonical SMILES for methyl 4-(3,5-dioxo-2H-1,2,4-triazin-6-yl)morpholine-3-carboxylate is COC(=O)C1COCCN1c1n[nH]c(=O)[nH]c1=O.
What is the InChIKey of methyl 4-(3,5-dioxo-2H-1,2,4-triazin-6-yl)morpholine-3-carboxylate?
The InChIKey is DZGWLUHVGSAMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O5/c1-17-8(15)5-4-18-3-2-13(5)6-7(14)10-9(16)12-11-6/h5H,2-4H2,1H3,(H2,10,12,14,16).
What are the key properties of methyl 4-(3,5-dioxo-2H-1,2,4-triazin-6-yl)morpholine-3-carboxylate?
methyl 4-(3,5-dioxo-2H-1,2,4-triazin-6-yl)morpholine-3-carboxylate has a molecular weight of 256.22 g/mol, XLogP of -2.16, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3,5-dioxo-2H-1,2,4-triazin-6-yl)morpholine-3-carboxylate is sourced from PubChem (CID 104775327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).