3-(2-trimethylsilylethoxymethyl)-5,7-dihydropyrrolo[2,3-e][1,2,4]triazin-6-one

C11H18N4O2Si — CID 71186443

IUPAC3-(2-trimethylsilylethoxymethyl)-5,7-dihydropyrrolo[2,3-e][1,2,4]triazin-6-one
SMILESC[Si](C)(C)CCOCc1nnc2c(n1)NC(=O)C2
InChIInChI=1S/C11H18N4O2Si/c1-18(2,3)5-4-17-7-9-12-11-8(14-15-9)6-10(16)13-11/h4-7H2,1-3H3,(H,12,13,15,16)
InChIKeyMMPXFLQKSQRVHM-UHFFFAOYSA-N
MW266.38 g/mol
LogP1.22
Rot. Bonds5

About 3-(2-trimethylsilylethoxymethyl)-5,7-dihydropyrrolo[2,3-e][1,2,4]triazin-6-one

3-(2-trimethylsilylethoxymethyl)-5,7-dihydropyrrolo[2,3-e][1,2,4]triazin-6-one (PubChem CID 71186443) has the molecular formula C11H18N4O2Si and a molecular weight of 266.38 g/mol. Its IUPAC name is 3-(2-trimethylsilylethoxymethyl)-5,7-dihydropyrrolo[2,3-e][1,2,4]triazin-6-one.

Molecular Properties

Compound Name3-(2-trimethylsilylethoxymethyl)-5,7-dihydropyrrolo[2,3-e][1,2,4]triazin-6-one
PubChem CID71186443
Molecular FormulaC11H18N4O2Si
Molecular Weight266.38 g/mol
Exact Mass266.12
IUPAC Name3-(2-trimethylsilylethoxymethyl)-5,7-dihydropyrrolo[2,3-e][1,2,4]triazin-6-one
SMILESC[Si](C)(C)CCOCc1nnc2c(n1)NC(=O)C2
InChIInChI=1S/C11H18N4O2Si/c1-18(2,3)5-4-17-7-9-12-11-8(14-15-9)6-10(16)13-11/h4-7H2,1-3H3,(H,12,13,15,16)
InChIKeyMMPXFLQKSQRVHM-UHFFFAOYSA-N
XLogP1.22
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-trimethylsilylethoxymethyl)-5,7-dihydropyrrolo[2,3-e][1,2,4]triazin-6-one?
The IUPAC name of 3-(2-trimethylsilylethoxymethyl)-5,7-dihydropyrrolo[2,3-e][1,2,4]triazin-6-one (CID 71186443) is 3-(2-trimethylsilylethoxymethyl)-5,7-dihydropyrrolo[2,3-e][1,2,4]triazin-6-one.
What is the SMILES notation for 3-(2-trimethylsilylethoxymethyl)-5,7-dihydropyrrolo[2,3-e][1,2,4]triazin-6-one?
The canonical SMILES for 3-(2-trimethylsilylethoxymethyl)-5,7-dihydropyrrolo[2,3-e][1,2,4]triazin-6-one is C[Si](C)(C)CCOCc1nnc2c(n1)NC(=O)C2.
What is the InChIKey of 3-(2-trimethylsilylethoxymethyl)-5,7-dihydropyrrolo[2,3-e][1,2,4]triazin-6-one?
The InChIKey is MMPXFLQKSQRVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2Si/c1-18(2,3)5-4-17-7-9-12-11-8(14-15-9)6-10(16)13-11/h4-7H2,1-3H3,(H,12,13,15,16).
What are the key properties of 3-(2-trimethylsilylethoxymethyl)-5,7-dihydropyrrolo[2,3-e][1,2,4]triazin-6-one?
3-(2-trimethylsilylethoxymethyl)-5,7-dihydropyrrolo[2,3-e][1,2,4]triazin-6-one has a molecular weight of 266.38 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-trimethylsilylethoxymethyl)-5,7-dihydropyrrolo[2,3-e][1,2,4]triazin-6-one is sourced from PubChem (CID 71186443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).