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

C13H22N4O2 — CID 105363259

IUPACmethyl 3-[(5,6-diethyl-1,2,4-triazin-3-yl)-ethylamino]propanoate
SMILESCCc1nnc(N(CC)CCC(=O)OC)nc1CC
InChIInChI=1S/C13H22N4O2/c1-5-10-11(6-2)15-16-13(14-10)17(7-3)9-8-12(18)19-4/h5-9H2,1-4H3
InChIKeyOVLGZMPYLWNNDM-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.39
Rot. Bonds7

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

methyl 3-[(5,6-diethyl-1,2,4-triazin-3-yl)-ethylamino]propanoate (PubChem CID 105363259) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is methyl 3-[(5,6-diethyl-1,2,4-triazin-3-yl)-ethylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(5,6-diethyl-1,2,4-triazin-3-yl)-ethylamino]propanoate
PubChem CID105363259
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Namemethyl 3-[(5,6-diethyl-1,2,4-triazin-3-yl)-ethylamino]propanoate
SMILESCCc1nnc(N(CC)CCC(=O)OC)nc1CC
InChIInChI=1S/C13H22N4O2/c1-5-10-11(6-2)15-16-13(14-10)17(7-3)9-8-12(18)19-4/h5-9H2,1-4H3
InChIKeyOVLGZMPYLWNNDM-UHFFFAOYSA-N
XLogP1.39
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(5,6-diethyl-1,2,4-triazin-3-yl)-ethylamino]propanoate?
The IUPAC name of methyl 3-[(5,6-diethyl-1,2,4-triazin-3-yl)-ethylamino]propanoate (CID 105363259) is methyl 3-[(5,6-diethyl-1,2,4-triazin-3-yl)-ethylamino]propanoate.
What is the SMILES notation for methyl 3-[(5,6-diethyl-1,2,4-triazin-3-yl)-ethylamino]propanoate?
The canonical SMILES for methyl 3-[(5,6-diethyl-1,2,4-triazin-3-yl)-ethylamino]propanoate is CCc1nnc(N(CC)CCC(=O)OC)nc1CC.
What is the InChIKey of methyl 3-[(5,6-diethyl-1,2,4-triazin-3-yl)-ethylamino]propanoate?
The InChIKey is OVLGZMPYLWNNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-5-10-11(6-2)15-16-13(14-10)17(7-3)9-8-12(18)19-4/h5-9H2,1-4H3.
What are the key properties of methyl 3-[(5,6-diethyl-1,2,4-triazin-3-yl)-ethylamino]propanoate?
methyl 3-[(5,6-diethyl-1,2,4-triazin-3-yl)-ethylamino]propanoate has a molecular weight of 266.34 g/mol, XLogP of 1.39, 7 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)-ethylamino]propanoate is sourced from PubChem (CID 105363259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).