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

C14H24N4O3 — CID 105363269

IUPACmethyl 3-[(5,6-diethyl-1,2,4-triazin-3-yl)-(2-methoxyethyl)amino]propanoate
SMILESCCc1nnc(N(CCOC)CCC(=O)OC)nc1CC
InChIInChI=1S/C14H24N4O3/c1-5-11-12(6-2)16-17-14(15-11)18(9-10-20-3)8-7-13(19)21-4/h5-10H2,1-4H3
InChIKeyDAFMRPPUTSFUAV-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.01
Rot. Bonds9

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

methyl 3-[(5,6-diethyl-1,2,4-triazin-3-yl)-(2-methoxyethyl)amino]propanoate (PubChem CID 105363269) has the molecular formula C14H24N4O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is methyl 3-[(5,6-diethyl-1,2,4-triazin-3-yl)-(2-methoxyethyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(5,6-diethyl-1,2,4-triazin-3-yl)-(2-methoxyethyl)amino]propanoate
PubChem CID105363269
Molecular FormulaC14H24N4O3
Molecular Weight296.37 g/mol
Exact Mass296.18
IUPAC Namemethyl 3-[(5,6-diethyl-1,2,4-triazin-3-yl)-(2-methoxyethyl)amino]propanoate
SMILESCCc1nnc(N(CCOC)CCC(=O)OC)nc1CC
InChIInChI=1S/C14H24N4O3/c1-5-11-12(6-2)16-17-14(15-11)18(9-10-20-3)8-7-13(19)21-4/h5-10H2,1-4H3
InChIKeyDAFMRPPUTSFUAV-UHFFFAOYSA-N
XLogP1.01
TPSA77.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 3-[(5,6-diethyl-1,2,4-triazin-3-yl)-(2-methoxyethyl)amino]propanoate 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 methyl 3-[(5,6-diethyl-1,2,4-triazin-3-yl)-(2-methoxyethyl)amino]propanoate?
The IUPAC name of methyl 3-[(5,6-diethyl-1,2,4-triazin-3-yl)-(2-methoxyethyl)amino]propanoate (CID 105363269) is methyl 3-[(5,6-diethyl-1,2,4-triazin-3-yl)-(2-methoxyethyl)amino]propanoate.
What is the SMILES notation for methyl 3-[(5,6-diethyl-1,2,4-triazin-3-yl)-(2-methoxyethyl)amino]propanoate?
The canonical SMILES for methyl 3-[(5,6-diethyl-1,2,4-triazin-3-yl)-(2-methoxyethyl)amino]propanoate is CCc1nnc(N(CCOC)CCC(=O)OC)nc1CC.
What is the InChIKey of methyl 3-[(5,6-diethyl-1,2,4-triazin-3-yl)-(2-methoxyethyl)amino]propanoate?
The InChIKey is DAFMRPPUTSFUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3/c1-5-11-12(6-2)16-17-14(15-11)18(9-10-20-3)8-7-13(19)21-4/h5-10H2,1-4H3.
What are the key properties of methyl 3-[(5,6-diethyl-1,2,4-triazin-3-yl)-(2-methoxyethyl)amino]propanoate?
methyl 3-[(5,6-diethyl-1,2,4-triazin-3-yl)-(2-methoxyethyl)amino]propanoate has a molecular weight of 296.37 g/mol, XLogP of 1.01, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(5,6-diethyl-1,2,4-triazin-3-yl)-(2-methoxyethyl)amino]propanoate is sourced from PubChem (CID 105363269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).