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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Related Compounds

1-[2-(Dimethylamino)ethyl]-1-(5,6-dimethyl-1,2,4-triazin-3-yl)-3,3-dimethylurea
CID 57056543
ethyl N-[(5,6-dimethyl-1,2,4-triazin-3-yl)oxy]-N-methylcarbamate
CID 153706204
3-[(5,6-Diethyl-1,2,4-triazin-3-yl)-methylamino]propanoic acid
CID 105362056
Methyl 3-[(5,6-diethyl-1,2,4-triazin-3-yl)-ethylamino]propanoate
CID 105363259
Methyl 3-[(5,6-diethyl-1,2,4-triazin-3-yl)-methylamino]propanoate
CID 105363265
Methyl 3-[(5,6-diethyl-1,2,4-triazin-3-yl)-methylamino]-2-methylpropanoate
CID 105363266
Methyl 3-[(5,6-diethyl-1,2,4-triazin-3-yl)-(2-methoxyethyl)amino]propanoate
CID 105363269
2-[2-(Dimethylamino)ethyl-(5,6-dimethyl-1,2,4-triazin-3-yl)amino]acetic acid
CID 107424723
Methyl 4-(5,6-dimethyl-1,2,4-triazin-3-yl)morpholine-2-carboxylate
CID 113586188
Ethyl 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)-propylamino]acetate
CID 113586385
2-[4-(5,6-Dimethyl-1,2,4-triazin-3-yl)piperazin-1-yl]acetic acid
CID 113633082
4-[(5,6-Dimethyl-1,2,4-triazin-3-yl)-propan-2-ylamino]butanoic acid
CID 113633085

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).