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

C10H16N4O2 — CID 114787553

IUPACmethyl 3-[(5,6-dimethyl-1,2,4-triazin-3-yl)-methylamino]propanoate
SMILESCOC(=O)CCN(C)c1nnc(C)c(C)n1
InChIInChI=1S/C10H16N4O2/c1-7-8(2)12-13-10(11-7)14(3)6-5-9(15)16-4/h5-6H2,1-4H3
InChIKeyRYMZXCOPTXHRAB-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.49
Rot. Bonds4

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

methyl 3-[(5,6-dimethyl-1,2,4-triazin-3-yl)-methylamino]propanoate (PubChem CID 114787553) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is methyl 3-[(5,6-dimethyl-1,2,4-triazin-3-yl)-methylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(5,6-dimethyl-1,2,4-triazin-3-yl)-methylamino]propanoate
PubChem CID114787553
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Namemethyl 3-[(5,6-dimethyl-1,2,4-triazin-3-yl)-methylamino]propanoate
SMILESCOC(=O)CCN(C)c1nnc(C)c(C)n1
InChIInChI=1S/C10H16N4O2/c1-7-8(2)12-13-10(11-7)14(3)6-5-9(15)16-4/h5-6H2,1-4H3
InChIKeyRYMZXCOPTXHRAB-UHFFFAOYSA-N
XLogP0.49
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.49
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-dimethyl-1,2,4-triazin-3-yl)-methylamino]propanoate?
The IUPAC name of methyl 3-[(5,6-dimethyl-1,2,4-triazin-3-yl)-methylamino]propanoate (CID 114787553) is methyl 3-[(5,6-dimethyl-1,2,4-triazin-3-yl)-methylamino]propanoate.
What is the SMILES notation for methyl 3-[(5,6-dimethyl-1,2,4-triazin-3-yl)-methylamino]propanoate?
The canonical SMILES for methyl 3-[(5,6-dimethyl-1,2,4-triazin-3-yl)-methylamino]propanoate is COC(=O)CCN(C)c1nnc(C)c(C)n1.
What is the InChIKey of methyl 3-[(5,6-dimethyl-1,2,4-triazin-3-yl)-methylamino]propanoate?
The InChIKey is RYMZXCOPTXHRAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-7-8(2)12-13-10(11-7)14(3)6-5-9(15)16-4/h5-6H2,1-4H3.
What are the key properties of methyl 3-[(5,6-dimethyl-1,2,4-triazin-3-yl)-methylamino]propanoate?
methyl 3-[(5,6-dimethyl-1,2,4-triazin-3-yl)-methylamino]propanoate has a molecular weight of 224.26 g/mol, XLogP of 0.49, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(5,6-dimethyl-1,2,4-triazin-3-yl)-methylamino]propanoate is sourced from PubChem (CID 114787553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).