2-phenyl-8-(3,4,5-trimethoxyphenyl)-6-trimethylsilyloxy-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione

C24H29N3O6Si — CID 11059948

IUPAC2-phenyl-8-(3,4,5-trimethoxyphenyl)-6-trimethylsilyloxy-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione
SMILESCOc1cc(C2C=C(O[Si](C)(C)C)Cn3c(=O)n(-c4ccccc4)c(=O)n32)cc(OC)c1OC
InChIInChI=1S/C24H29N3O6Si/c1-30-20-12-16(13-21(31-2)22(20)32-3)19-14-18(33-34(4,5)6)15-25-23(28)26(24(29)27(19)25)17-10-8-7-9-11-17/h7-14,19H,15H2,1-6H3
InChIKeyYDCPPRJWTOMFEU-UHFFFAOYSA-N
MW483.60 g/mol
LogP3.16
Rot. Bonds7

About 2-phenyl-8-(3,4,5-trimethoxyphenyl)-6-trimethylsilyloxy-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione

2-phenyl-8-(3,4,5-trimethoxyphenyl)-6-trimethylsilyloxy-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione (PubChem CID 11059948) has the molecular formula C24H29N3O6Si and a molecular weight of 483.60 g/mol. Its IUPAC name is 2-phenyl-8-(3,4,5-trimethoxyphenyl)-6-trimethylsilyloxy-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione.

Molecular Properties

Compound Name2-phenyl-8-(3,4,5-trimethoxyphenyl)-6-trimethylsilyloxy-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione
PubChem CID11059948
Molecular FormulaC24H29N3O6Si
Molecular Weight483.60 g/mol
Exact Mass483.18
IUPAC Name2-phenyl-8-(3,4,5-trimethoxyphenyl)-6-trimethylsilyloxy-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione
SMILESCOc1cc(C2C=C(O[Si](C)(C)C)Cn3c(=O)n(-c4ccccc4)c(=O)n32)cc(OC)c1OC
InChIInChI=1S/C24H29N3O6Si/c1-30-20-12-16(13-21(31-2)22(20)32-3)19-14-18(33-34(4,5)6)15-25-23(28)26(24(29)27(19)25)17-10-8-7-9-11-17/h7-14,19H,15H2,1-6H3
InChIKeyYDCPPRJWTOMFEU-UHFFFAOYSA-N
XLogP3.16
TPSA85.85 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.60
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-8-(3,4,5-trimethoxyphenyl)-6-trimethylsilyloxy-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione?
The IUPAC name of 2-phenyl-8-(3,4,5-trimethoxyphenyl)-6-trimethylsilyloxy-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione (CID 11059948) is 2-phenyl-8-(3,4,5-trimethoxyphenyl)-6-trimethylsilyloxy-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione.
What is the SMILES notation for 2-phenyl-8-(3,4,5-trimethoxyphenyl)-6-trimethylsilyloxy-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione?
The canonical SMILES for 2-phenyl-8-(3,4,5-trimethoxyphenyl)-6-trimethylsilyloxy-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione is COc1cc(C2C=C(O[Si](C)(C)C)Cn3c(=O)n(-c4ccccc4)c(=O)n32)cc(OC)c1OC.
What is the InChIKey of 2-phenyl-8-(3,4,5-trimethoxyphenyl)-6-trimethylsilyloxy-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione?
The InChIKey is YDCPPRJWTOMFEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O6Si/c1-30-20-12-16(13-21(31-2)22(20)32-3)19-14-18(33-34(4,5)6)15-25-23(28)26(24(29)27(19)25)17-10-8-7-9-11-17/h7-14,19H,15H2,1-6H3.
What are the key properties of 2-phenyl-8-(3,4,5-trimethoxyphenyl)-6-trimethylsilyloxy-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione?
2-phenyl-8-(3,4,5-trimethoxyphenyl)-6-trimethylsilyloxy-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione has a molecular weight of 483.60 g/mol, XLogP of 3.16, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-8-(3,4,5-trimethoxyphenyl)-6-trimethylsilyloxy-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione is sourced from PubChem (CID 11059948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).