ethyl 2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)propanoate

C11H13N3O3 — CID 3240210

IUPACethyl 2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)propanoate
SMILESCCOC(=O)C(C)n1ncn2cccc2c1=O
InChIInChI=1S/C11H13N3O3/c1-3-17-11(16)8(2)14-10(15)9-5-4-6-13(9)7-12-14/h4-8H,3H2,1-2H3
InChIKeyZAHQZEUBRUBTNH-UHFFFAOYSA-N
MW235.24 g/mol
LogP0.62
Rot. Bonds3

About ethyl 2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)propanoate

ethyl 2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)propanoate (PubChem CID 3240210) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is ethyl 2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)propanoate
PubChem CID3240210
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Nameethyl 2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)propanoate
SMILESCCOC(=O)C(C)n1ncn2cccc2c1=O
InChIInChI=1S/C11H13N3O3/c1-3-17-11(16)8(2)14-10(15)9-5-4-6-13(9)7-12-14/h4-8H,3H2,1-2H3
InChIKeyZAHQZEUBRUBTNH-UHFFFAOYSA-N
XLogP0.62
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1H,2H-pyrrolo[1,2-d][1,2,4]triazin-1-one
CID 3240920
Peramine
CID 114748
4-methyl-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolo[1,2-d][1,2,4]triazin-1(2H)-one
CID 22514403
N-cyclohexyl-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2(1H)-yl)acetamide
CID 22514504
2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-4-ethylpyrrolo[1,2-d][1,2,4]triazin-1(2H)-one
CID 22514526
4-Ethyl-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolo[1,2-d][1,2,4]triazin-1-one
CID 22514518
2-(2-oxo-2-piperidin-1-ylethyl)pyrrolo[1,2-d][1,2,4]triazin-1(2H)-one
CID 3238990
methyl (1-oxopyrrolo[1,2-d][1,2,4]triazin-2(1H)-yl)acetate
CID 3243261
Ethyl 1-[2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetyl]piperidine-4-carboxylate
CID 22514400
4-Ethyl-2-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]pyrrolo[1,2-d][1,2,4]triazin-1-one
CID 22514527
2-(1-methyl-2-oxo-2-piperidin-1-ylethyl)pyrrolo[1,2-d][1,2,4]triazin-1(2H)-one
CID 3240218
N-[3-(diethylamino)propyl]-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide
CID 9550722

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)propanoate?
The IUPAC name of ethyl 2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)propanoate (CID 3240210) is ethyl 2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)propanoate.
What is the SMILES notation for ethyl 2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)propanoate?
The canonical SMILES for ethyl 2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)propanoate is CCOC(=O)C(C)n1ncn2cccc2c1=O.
What is the InChIKey of ethyl 2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)propanoate?
The InChIKey is ZAHQZEUBRUBTNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c1-3-17-11(16)8(2)14-10(15)9-5-4-6-13(9)7-12-14/h4-8H,3H2,1-2H3.
What are the key properties of ethyl 2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)propanoate?
ethyl 2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)propanoate has a molecular weight of 235.24 g/mol, XLogP of 0.62, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)propanoate is sourced from PubChem (CID 3240210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).