ethyl 1-[2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetyl]piperidine-4-carboxylate

C17H22N4O4 — CID 22514400

IUPACethyl 1-[2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)Cn2nc(C)n3cccc3c2=O)CC1
InChIInChI=1S/C17H22N4O4/c1-3-25-17(24)13-6-9-19(10-7-13)15(22)11-21-16(23)14-5-4-8-20(14)12(2)18-21/h4-5,8,13H,3,6-7,9-11H2,1-2H3
InChIKeyCNYOAULPZRAZDW-UHFFFAOYSA-N
MW346.39 g/mol
LogP0.61
Rot. Bonds4

About ethyl 1-[2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetyl]piperidine-4-carboxylate

ethyl 1-[2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetyl]piperidine-4-carboxylate (PubChem CID 22514400) has the molecular formula C17H22N4O4 and a molecular weight of 346.39 g/mol. Its IUPAC name is ethyl 1-[2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetyl]piperidine-4-carboxylate
PubChem CID22514400
Molecular FormulaC17H22N4O4
Molecular Weight346.39 g/mol
Exact Mass346.16
IUPAC Nameethyl 1-[2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)Cn2nc(C)n3cccc3c2=O)CC1
InChIInChI=1S/C17H22N4O4/c1-3-25-17(24)13-6-9-19(10-7-13)15(22)11-21-16(23)14-5-4-8-20(14)12(2)18-21/h4-5,8,13H,3,6-7,9-11H2,1-2H3
InChIKeyCNYOAULPZRAZDW-UHFFFAOYSA-N
XLogP0.61
TPSA85.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 1-[2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetyl]piperidine-4-carboxylate 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 ethyl 1-[2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetyl]piperidine-4-carboxylate (CID 22514400) is ethyl 1-[2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)Cn2nc(C)n3cccc3c2=O)CC1.
What is the InChIKey of ethyl 1-[2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetyl]piperidine-4-carboxylate?
The InChIKey is CNYOAULPZRAZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O4/c1-3-25-17(24)13-6-9-19(10-7-13)15(22)11-21-16(23)14-5-4-8-20(14)12(2)18-21/h4-5,8,13H,3,6-7,9-11H2,1-2H3.
What are the key properties of ethyl 1-[2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetyl]piperidine-4-carboxylate?
ethyl 1-[2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetyl]piperidine-4-carboxylate has a molecular weight of 346.39 g/mol, XLogP of 0.61, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetyl]piperidine-4-carboxylate is sourced from PubChem (CID 22514400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).