1-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-3-amine

C11H22N4OSi — CID 58201302

IUPAC1-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-3-amine
SMILESC[Si](C)(C)CCOCn1nc(N)c2c1CNC2
InChIInChI=1S/C11H22N4OSi/c1-17(2,3)5-4-16-8-15-10-7-13-6-9(10)11(12)14-15/h13H,4-8H2,1-3H3,(H2,12,14)
InChIKeyCKHKZZIVIFIEQR-UHFFFAOYSA-N
MW254.41 g/mol
LogP1.38
Rot. Bonds5

About 1-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-3-amine

1-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-3-amine (PubChem CID 58201302) has the molecular formula C11H22N4OSi and a molecular weight of 254.41 g/mol. Its IUPAC name is 1-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-3-amine.

Molecular Properties

Compound Name1-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-3-amine
PubChem CID58201302
Molecular FormulaC11H22N4OSi
Molecular Weight254.41 g/mol
Exact Mass254.16
IUPAC Name1-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-3-amine
SMILESC[Si](C)(C)CCOCn1nc(N)c2c1CNC2
InChIInChI=1S/C11H22N4OSi/c1-17(2,3)5-4-16-8-15-10-7-13-6-9(10)11(12)14-15/h13H,4-8H2,1-3H3,(H2,12,14)
InChIKeyCKHKZZIVIFIEQR-UHFFFAOYSA-N
XLogP1.38
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.41
LogP ≤ 51.38
H-Bond Donors ≤ 52
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 1-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-3-amine?
The IUPAC name of 1-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-3-amine (CID 58201302) is 1-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-3-amine.
What is the SMILES notation for 1-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-3-amine?
The canonical SMILES for 1-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-3-amine is C[Si](C)(C)CCOCn1nc(N)c2c1CNC2.
What is the InChIKey of 1-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-3-amine?
The InChIKey is CKHKZZIVIFIEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4OSi/c1-17(2,3)5-4-16-8-15-10-7-13-6-9(10)11(12)14-15/h13H,4-8H2,1-3H3,(H2,12,14).
What are the key properties of 1-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-3-amine?
1-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-3-amine has a molecular weight of 254.41 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-3-amine is sourced from PubChem (CID 58201302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).