methyl 3-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)-(2-methoxyethyl)amino]propanoate

C10H16N4O5 — CID 80703580

IUPACmethyl 3-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)-(2-methoxyethyl)amino]propanoate
SMILESCOCCN(CCC(=O)OC)c1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C10H16N4O5/c1-18-6-5-14(4-3-7(15)19-2)8-9(16)11-10(17)13-12-8/h3-6H2,1-2H3,(H2,11,13,16,17)
InChIKeyRYZHANZFBQHASH-UHFFFAOYSA-N
MW272.26 g/mol
LogP-1.53
Rot. Bonds7

About methyl 3-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)-(2-methoxyethyl)amino]propanoate

methyl 3-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)-(2-methoxyethyl)amino]propanoate (PubChem CID 80703580) has the molecular formula C10H16N4O5 and a molecular weight of 272.26 g/mol. Its IUPAC name is methyl 3-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)-(2-methoxyethyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)-(2-methoxyethyl)amino]propanoate
PubChem CID80703580
Molecular FormulaC10H16N4O5
Molecular Weight272.26 g/mol
Exact Mass272.11
IUPAC Namemethyl 3-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)-(2-methoxyethyl)amino]propanoate
SMILESCOCCN(CCC(=O)OC)c1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C10H16N4O5/c1-18-6-5-14(4-3-7(15)19-2)8-9(16)11-10(17)13-12-8/h3-6H2,1-2H3,(H2,11,13,16,17)
InChIKeyRYZHANZFBQHASH-UHFFFAOYSA-N
XLogP-1.53
TPSA117.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 5-1.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 3-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)-(2-methoxyethyl)amino]propanoate with MolForge

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Related Compounds

methyl 3-[(3-cyanopyrazin-2-yl)-(2-methoxyethyl)amino]propanoate
CID 113330474
methyl 3-[(3-chloro-2-pyridinyl)-(2-methoxyethyl)amino]propanoate
CID 113331207
methyl 3-[(3-carbamoyl-2-pyridinyl)-(2-methoxyethyl)amino]propanoate
CID 115538155
methyl 3-[(4-cyano-5,6-dimethylpyridazin-3-yl)-(2-methoxyethyl)amino]propanoate
CID 115534528
ethyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)-ethylamino]acetate
CID 62004942
methyl 3-[2-methoxyethyl-[6-(methylcarbamoyl)pyridazin-3-yl]amino]propanoate
CID 79937428
methyl 3-[2-methoxyethyl(1H-pyrazole-5-carbonyl)amino]propanoate
CID 78959070
methyl 3-[4-[bis(3-methoxy-3-oxopropyl)amino]-N-(3-methoxy-3-oxopropyl)anilino]propanoate
CID 101485319
methyl 3-[ethyl-(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]propanoate
CID 137007573
6-[3-aminopropyl(ethyl)amino]-2H-1,2,4-triazine-3,5-dione
CID 60871209
methyl 3-[4-acetyl-2-fluoro-N-(2-methoxyethyl)anilino]propanoate
CID 115538096
methyl 3-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl-ethylamino]propanoate
CID 61010503

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)-(2-methoxyethyl)amino]propanoate?
The IUPAC name of methyl 3-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)-(2-methoxyethyl)amino]propanoate (CID 80703580) is methyl 3-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)-(2-methoxyethyl)amino]propanoate.
What is the SMILES notation for methyl 3-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)-(2-methoxyethyl)amino]propanoate?
The canonical SMILES for methyl 3-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)-(2-methoxyethyl)amino]propanoate is COCCN(CCC(=O)OC)c1n[nH]c(=O)[nH]c1=O.
What is the InChIKey of methyl 3-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)-(2-methoxyethyl)amino]propanoate?
The InChIKey is RYZHANZFBQHASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O5/c1-18-6-5-14(4-3-7(15)19-2)8-9(16)11-10(17)13-12-8/h3-6H2,1-2H3,(H2,11,13,16,17).
What are the key properties of methyl 3-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)-(2-methoxyethyl)amino]propanoate?
methyl 3-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)-(2-methoxyethyl)amino]propanoate has a molecular weight of 272.26 g/mol, XLogP of -1.53, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)-(2-methoxyethyl)amino]propanoate is sourced from PubChem (CID 80703580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).