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

C8H12N4O2 — CID 114786539

IUPACmethyl 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]acetate
SMILESCOC(=O)CNc1nnc(C)c(C)n1
InChIInChI=1S/C8H12N4O2/c1-5-6(2)11-12-8(10-5)9-4-7(13)14-3/h4H2,1-3H3,(H,9,10,12)
InChIKeyCTKABJOHEXMISQ-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.07
Rot. Bonds3

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

methyl 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]acetate (PubChem CID 114786539) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is methyl 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]acetate
PubChem CID114786539
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC Namemethyl 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]acetate
SMILESCOC(=O)CNc1nnc(C)c(C)n1
InChIInChI=1S/C8H12N4O2/c1-5-6(2)11-12-8(10-5)9-4-7(13)14-3/h4H2,1-3H3,(H,9,10,12)
InChIKeyCTKABJOHEXMISQ-UHFFFAOYSA-N
XLogP0.07
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]acetate?
The IUPAC name of methyl 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]acetate (CID 114786539) is methyl 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]acetate.
What is the SMILES notation for methyl 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]acetate?
The canonical SMILES for methyl 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]acetate is COC(=O)CNc1nnc(C)c(C)n1.
What is the InChIKey of methyl 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]acetate?
The InChIKey is CTKABJOHEXMISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2/c1-5-6(2)11-12-8(10-5)9-4-7(13)14-3/h4H2,1-3H3,(H,9,10,12).
What are the key properties of methyl 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]acetate?
methyl 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]acetate has a molecular weight of 196.21 g/mol, XLogP of 0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]acetate is sourced from PubChem (CID 114786539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).