methyl 2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetate

C9H9N3O3 — CID 3243261

IUPACmethyl 2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetate
SMILESCOC(=O)Cn1ncn2cccc2c1=O
InChIInChI=1S/C9H9N3O3/c1-15-8(13)5-12-9(14)7-3-2-4-11(7)6-10-12/h2-4,6H,5H2,1H3
InChIKeyZMKOZKKHTZFKLS-UHFFFAOYSA-N
MW207.19 g/mol
LogP-0.33
Rot. Bonds2

About methyl 2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetate

methyl 2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetate (PubChem CID 3243261) has the molecular formula C9H9N3O3 and a molecular weight of 207.19 g/mol. Its IUPAC name is methyl 2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetate
PubChem CID3243261
Molecular FormulaC9H9N3O3
Molecular Weight207.19 g/mol
Exact Mass207.06
IUPAC Namemethyl 2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetate
SMILESCOC(=O)Cn1ncn2cccc2c1=O
InChIInChI=1S/C9H9N3O3/c1-15-8(13)5-12-9(14)7-3-2-4-11(7)6-10-12/h2-4,6H,5H2,1H3
InChIKeyZMKOZKKHTZFKLS-UHFFFAOYSA-N
XLogP-0.33
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 5-0.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetate?
The IUPAC name of methyl 2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetate (CID 3243261) is methyl 2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetate.
What is the SMILES notation for methyl 2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetate?
The canonical SMILES for methyl 2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetate is COC(=O)Cn1ncn2cccc2c1=O.
What is the InChIKey of methyl 2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetate?
The InChIKey is ZMKOZKKHTZFKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O3/c1-15-8(13)5-12-9(14)7-3-2-4-11(7)6-10-12/h2-4,6H,5H2,1H3.
What are the key properties of methyl 2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetate?
methyl 2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetate has a molecular weight of 207.19 g/mol, XLogP of -0.33, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetate is sourced from PubChem (CID 3243261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).