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

C12H20N4O2 — CID 105363265

IUPACmethyl 3-[(5,6-diethyl-1,2,4-triazin-3-yl)-methylamino]propanoate
SMILESCCc1nnc(N(C)CCC(=O)OC)nc1CC
InChIInChI=1S/C12H20N4O2/c1-5-9-10(6-2)14-15-12(13-9)16(3)8-7-11(17)18-4/h5-8H2,1-4H3
InChIKeyIMQQZEKVMBTYCW-UHFFFAOYSA-N
MW252.32 g/mol
LogP1.00
Rot. Bonds6

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

methyl 3-[(5,6-diethyl-1,2,4-triazin-3-yl)-methylamino]propanoate (PubChem CID 105363265) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is methyl 3-[(5,6-diethyl-1,2,4-triazin-3-yl)-methylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(5,6-diethyl-1,2,4-triazin-3-yl)-methylamino]propanoate
PubChem CID105363265
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Namemethyl 3-[(5,6-diethyl-1,2,4-triazin-3-yl)-methylamino]propanoate
SMILESCCc1nnc(N(C)CCC(=O)OC)nc1CC
InChIInChI=1S/C12H20N4O2/c1-5-9-10(6-2)14-15-12(13-9)16(3)8-7-11(17)18-4/h5-8H2,1-4H3
InChIKeyIMQQZEKVMBTYCW-UHFFFAOYSA-N
XLogP1.00
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 3-[(5,6-diethyl-1,2,4-triazin-3-yl)-methylamino]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)-methylamino]propanoate?
The IUPAC name of methyl 3-[(5,6-diethyl-1,2,4-triazin-3-yl)-methylamino]propanoate (CID 105363265) is methyl 3-[(5,6-diethyl-1,2,4-triazin-3-yl)-methylamino]propanoate.
What is the SMILES notation for methyl 3-[(5,6-diethyl-1,2,4-triazin-3-yl)-methylamino]propanoate?
The canonical SMILES for methyl 3-[(5,6-diethyl-1,2,4-triazin-3-yl)-methylamino]propanoate is CCc1nnc(N(C)CCC(=O)OC)nc1CC.
What is the InChIKey of methyl 3-[(5,6-diethyl-1,2,4-triazin-3-yl)-methylamino]propanoate?
The InChIKey is IMQQZEKVMBTYCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-5-9-10(6-2)14-15-12(13-9)16(3)8-7-11(17)18-4/h5-8H2,1-4H3.
What are the key properties of methyl 3-[(5,6-diethyl-1,2,4-triazin-3-yl)-methylamino]propanoate?
methyl 3-[(5,6-diethyl-1,2,4-triazin-3-yl)-methylamino]propanoate has a molecular weight of 252.32 g/mol, XLogP of 1.00, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(5,6-diethyl-1,2,4-triazin-3-yl)-methylamino]propanoate is sourced from PubChem (CID 105363265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).