6-chloro-4-[(3-cyclopropyl-2H-pyrrol-5-yl)amino]-2-(2-trimethylsilylethoxymethyl)pyridazin-3-one

C17H25ClN4O2Si — CID 158798521

IUPAC6-chloro-4-[(3-cyclopropyl-2H-pyrrol-5-yl)amino]-2-(2-trimethylsilylethoxymethyl)pyridazin-3-one
SMILESC[Si](C)(C)CCOCn1nc(Cl)cc(NC2=NCC(C3CC3)=C2)c1=O
InChIInChI=1S/C17H25ClN4O2Si/c1-25(2,3)7-6-24-11-22-17(23)14(9-15(18)21-22)20-16-8-13(10-19-16)12-4-5-12/h8-9,12H,4-7,10-11H2,1-3H3,(H,19,20)
InChIKeyITECREOZFGUPTH-UHFFFAOYSA-N
MW380.95 g/mol
LogP3.37
Rot. Bonds7

About 6-chloro-4-[(3-cyclopropyl-2H-pyrrol-5-yl)amino]-2-(2-trimethylsilylethoxymethyl)pyridazin-3-one

6-chloro-4-[(3-cyclopropyl-2H-pyrrol-5-yl)amino]-2-(2-trimethylsilylethoxymethyl)pyridazin-3-one (PubChem CID 158798521) has the molecular formula C17H25ClN4O2Si and a molecular weight of 380.95 g/mol. Its IUPAC name is 6-chloro-4-[(3-cyclopropyl-2H-pyrrol-5-yl)amino]-2-(2-trimethylsilylethoxymethyl)pyridazin-3-one.

Molecular Properties

Compound Name6-chloro-4-[(3-cyclopropyl-2H-pyrrol-5-yl)amino]-2-(2-trimethylsilylethoxymethyl)pyridazin-3-one
PubChem CID158798521
Molecular FormulaC17H25ClN4O2Si
Molecular Weight380.95 g/mol
Exact Mass380.14
IUPAC Name6-chloro-4-[(3-cyclopropyl-2H-pyrrol-5-yl)amino]-2-(2-trimethylsilylethoxymethyl)pyridazin-3-one
SMILESC[Si](C)(C)CCOCn1nc(Cl)cc(NC2=NCC(C3CC3)=C2)c1=O
InChIInChI=1S/C17H25ClN4O2Si/c1-25(2,3)7-6-24-11-22-17(23)14(9-15(18)21-22)20-16-8-13(10-19-16)12-4-5-12/h8-9,12H,4-7,10-11H2,1-3H3,(H,19,20)
InChIKeyITECREOZFGUPTH-UHFFFAOYSA-N
XLogP3.37
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.95
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 6-chloro-4-[(3-cyclopropyl-2H-pyrrol-5-yl)amino]-2-(2-trimethylsilylethoxymethyl)pyridazin-3-one?
The IUPAC name of 6-chloro-4-[(3-cyclopropyl-2H-pyrrol-5-yl)amino]-2-(2-trimethylsilylethoxymethyl)pyridazin-3-one (CID 158798521) is 6-chloro-4-[(3-cyclopropyl-2H-pyrrol-5-yl)amino]-2-(2-trimethylsilylethoxymethyl)pyridazin-3-one.
What is the SMILES notation for 6-chloro-4-[(3-cyclopropyl-2H-pyrrol-5-yl)amino]-2-(2-trimethylsilylethoxymethyl)pyridazin-3-one?
The canonical SMILES for 6-chloro-4-[(3-cyclopropyl-2H-pyrrol-5-yl)amino]-2-(2-trimethylsilylethoxymethyl)pyridazin-3-one is C[Si](C)(C)CCOCn1nc(Cl)cc(NC2=NCC(C3CC3)=C2)c1=O.
What is the InChIKey of 6-chloro-4-[(3-cyclopropyl-2H-pyrrol-5-yl)amino]-2-(2-trimethylsilylethoxymethyl)pyridazin-3-one?
The InChIKey is ITECREOZFGUPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN4O2Si/c1-25(2,3)7-6-24-11-22-17(23)14(9-15(18)21-22)20-16-8-13(10-19-16)12-4-5-12/h8-9,12H,4-7,10-11H2,1-3H3,(H,19,20).
What are the key properties of 6-chloro-4-[(3-cyclopropyl-2H-pyrrol-5-yl)amino]-2-(2-trimethylsilylethoxymethyl)pyridazin-3-one?
6-chloro-4-[(3-cyclopropyl-2H-pyrrol-5-yl)amino]-2-(2-trimethylsilylethoxymethyl)pyridazin-3-one has a molecular weight of 380.95 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-[(3-cyclopropyl-2H-pyrrol-5-yl)amino]-2-(2-trimethylsilylethoxymethyl)pyridazin-3-one is sourced from PubChem (CID 158798521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).