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

C13H22N4O2 — CID 105363266

IUPACmethyl 3-[(5,6-diethyl-1,2,4-triazin-3-yl)-methylamino]-2-methylpropanoate
SMILESCCc1nnc(N(C)CC(C)C(=O)OC)nc1CC
InChIInChI=1S/C13H22N4O2/c1-6-10-11(7-2)15-16-13(14-10)17(4)8-9(3)12(18)19-5/h9H,6-8H2,1-5H3
InChIKeyXGCRJIKFONILDC-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.24
Rot. Bonds6

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

methyl 3-[(5,6-diethyl-1,2,4-triazin-3-yl)-methylamino]-2-methylpropanoate (PubChem CID 105363266) 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)-methylamino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-[(5,6-diethyl-1,2,4-triazin-3-yl)-methylamino]-2-methylpropanoate
PubChem CID105363266
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Namemethyl 3-[(5,6-diethyl-1,2,4-triazin-3-yl)-methylamino]-2-methylpropanoate
SMILESCCc1nnc(N(C)CC(C)C(=O)OC)nc1CC
InChIInChI=1S/C13H22N4O2/c1-6-10-11(7-2)15-16-13(14-10)17(4)8-9(3)12(18)19-5/h9H,6-8H2,1-5H3
InChIKeyXGCRJIKFONILDC-UHFFFAOYSA-N
XLogP1.24
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.24
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)-methylamino]-2-methylpropanoate?
The IUPAC name of methyl 3-[(5,6-diethyl-1,2,4-triazin-3-yl)-methylamino]-2-methylpropanoate (CID 105363266) is methyl 3-[(5,6-diethyl-1,2,4-triazin-3-yl)-methylamino]-2-methylpropanoate.
What is the SMILES notation for methyl 3-[(5,6-diethyl-1,2,4-triazin-3-yl)-methylamino]-2-methylpropanoate?
The canonical SMILES for methyl 3-[(5,6-diethyl-1,2,4-triazin-3-yl)-methylamino]-2-methylpropanoate is CCc1nnc(N(C)CC(C)C(=O)OC)nc1CC.
What is the InChIKey of methyl 3-[(5,6-diethyl-1,2,4-triazin-3-yl)-methylamino]-2-methylpropanoate?
The InChIKey is XGCRJIKFONILDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-6-10-11(7-2)15-16-13(14-10)17(4)8-9(3)12(18)19-5/h9H,6-8H2,1-5H3.
What are the key properties of methyl 3-[(5,6-diethyl-1,2,4-triazin-3-yl)-methylamino]-2-methylpropanoate?
methyl 3-[(5,6-diethyl-1,2,4-triazin-3-yl)-methylamino]-2-methylpropanoate has a molecular weight of 266.34 g/mol, XLogP of 1.24, 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]-2-methylpropanoate is sourced from PubChem (CID 105363266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).