(5R,6S)-6-[dimethyl(phenyl)silyl]-5-methyl-2-phenyl-6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazole-1,3-dione

C20H23N3O2Si — CID 102472373

IUPAC(5R,6S)-6-[dimethyl(phenyl)silyl]-5-methyl-2-phenyl-6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazole-1,3-dione
SMILESC[C@@H]1[C@@H]([Si](C)(C)c2ccccc2)Cn2c(=O)n(-c3ccccc3)c(=O)n21
InChIInChI=1S/C20H23N3O2Si/c1-15-18(26(2,3)17-12-8-5-9-13-17)14-21-19(24)22(20(25)23(15)21)16-10-6-4-7-11-16/h4-13,15,18H,14H2,1-3H3/t15-,18+/m1/s1
InChIKeyFHKGWOFWPHQCGK-QAPCUYQASA-N
MW365.51 g/mol
LogP2.36
Rot. Bonds3

About (5R,6S)-6-[dimethyl(phenyl)silyl]-5-methyl-2-phenyl-6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazole-1,3-dione

(5R,6S)-6-[dimethyl(phenyl)silyl]-5-methyl-2-phenyl-6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazole-1,3-dione (PubChem CID 102472373) has the molecular formula C20H23N3O2Si and a molecular weight of 365.51 g/mol. Its IUPAC name is (5R,6S)-6-[dimethyl(phenyl)silyl]-5-methyl-2-phenyl-6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazole-1,3-dione.

Molecular Properties

Compound Name(5R,6S)-6-[dimethyl(phenyl)silyl]-5-methyl-2-phenyl-6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazole-1,3-dione
PubChem CID102472373
Molecular FormulaC20H23N3O2Si
Molecular Weight365.51 g/mol
Exact Mass365.16
IUPAC Name(5R,6S)-6-[dimethyl(phenyl)silyl]-5-methyl-2-phenyl-6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazole-1,3-dione
SMILESC[C@@H]1[C@@H]([Si](C)(C)c2ccccc2)Cn2c(=O)n(-c3ccccc3)c(=O)n21
InChIInChI=1S/C20H23N3O2Si/c1-15-18(26(2,3)17-12-8-5-9-13-17)14-21-19(24)22(20(25)23(15)21)16-10-6-4-7-11-16/h4-13,15,18H,14H2,1-3H3/t15-,18+/m1/s1
InChIKeyFHKGWOFWPHQCGK-QAPCUYQASA-N
XLogP2.36
TPSA48.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.51
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5R,6S,7R)-6,7-dihydroxy-6-(hydroxymethyl)-5-methyl-2-phenyl-7,8-dihydro-5H-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione
CID 139191961
ethyl (2R,3S,5R)-8,10-dioxo-9-phenyl-4-oxa-1,7,9-triazatricyclo[5.3.0.03,5]decane-2-carboxylate
CID 56925303
(2S)-2-[(2R,4S,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]-9-phenyl-4-oxa-1,7,9-triazatricyclo[5.3.0.03,5]decane-8,10-dione
CID 164683105
5-phenyl-9-oxa-3,5,7-triazatetracyclo[6.4.0.02,10.03,7]dodecane-4,6-dione
CID 2755636
(1R,2R,10R,11R)-6-phenyl-4,6,8-triazahexacyclo[7.4.0.02,13.03,11.04,8.010,12]tridecane-5,7-dione
CID 100895798
2-(4-chlorophenyl)-5-methyl-6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazole-1,3-dione
CID 13093977
dimethyl-[(1S,2R)-2-methylcyclohexyl]-phenylsilane
CID 11117937
(1S,2S,8S,10R,11S,12S)-10-methyl-5-phenyl-3,5,7-triazapentacyclo[6.4.0.02,11.03,7.010,12]dodecane-4,6-dione
CID 98557315
(1S,2S,8R,10S,11S,12S)-10-methyl-5-phenyl-3,5,7-triazapentacyclo[6.4.0.02,11.03,7.010,12]dodecane-4,6-dione
CID 98557314
1,3-dimethyl-5-phenyl-1,3,5-triazinane-2,4,6-trione
CID 15555687
[(1R,8R,9R,11S,13R)-8-acetyloxy-3,5-dioxo-4-phenyl-13-phenylmethoxy-10-oxa-2,4,6-triazatricyclo[7.4.0.02,6]tridecan-11-yl] acetate
CID 101145669
[(2S,3S)-3-[dimethyl(phenyl)silyl]oxiran-2-yl]-dimethyl-phenylsilane
CID 15526879

Frequently Asked Questions

What is the IUPAC name of (5R,6S)-6-[dimethyl(phenyl)silyl]-5-methyl-2-phenyl-6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazole-1,3-dione?
The IUPAC name of (5R,6S)-6-[dimethyl(phenyl)silyl]-5-methyl-2-phenyl-6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazole-1,3-dione (CID 102472373) is (5R,6S)-6-[dimethyl(phenyl)silyl]-5-methyl-2-phenyl-6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazole-1,3-dione.
What is the SMILES notation for (5R,6S)-6-[dimethyl(phenyl)silyl]-5-methyl-2-phenyl-6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazole-1,3-dione?
The canonical SMILES for (5R,6S)-6-[dimethyl(phenyl)silyl]-5-methyl-2-phenyl-6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazole-1,3-dione is C[C@@H]1[C@@H]([Si](C)(C)c2ccccc2)Cn2c(=O)n(-c3ccccc3)c(=O)n21.
What is the InChIKey of (5R,6S)-6-[dimethyl(phenyl)silyl]-5-methyl-2-phenyl-6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazole-1,3-dione?
The InChIKey is FHKGWOFWPHQCGK-QAPCUYQASA-N. The full InChI is InChI=1S/C20H23N3O2Si/c1-15-18(26(2,3)17-12-8-5-9-13-17)14-21-19(24)22(20(25)23(15)21)16-10-6-4-7-11-16/h4-13,15,18H,14H2,1-3H3/t15-,18+/m1/s1.
What are the key properties of (5R,6S)-6-[dimethyl(phenyl)silyl]-5-methyl-2-phenyl-6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazole-1,3-dione?
(5R,6S)-6-[dimethyl(phenyl)silyl]-5-methyl-2-phenyl-6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazole-1,3-dione has a molecular weight of 365.51 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-6-[dimethyl(phenyl)silyl]-5-methyl-2-phenyl-6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazole-1,3-dione is sourced from PubChem (CID 102472373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).