3,3-dimethyl-2-phenyl-[1,2,4,3]triazasilolo[5,4-a]isoquinoline

C17H17N3Si — CID 177409767

IUPAC3,3-dimethyl-2-phenyl-[1,2,4,3]triazasilolo[5,4-a]isoquinoline
SMILESC[Si]1(C)N2C=Cc3ccccc3C2=NN1c1ccccc1
InChIInChI=1S/C17H17N3Si/c1-21(2)19-13-12-14-8-6-7-11-16(14)17(19)18-20(21)15-9-4-3-5-10-15/h3-13H,1-2H3
InChIKeyXAGRLIDBVOKHAJ-UHFFFAOYSA-N
MW291.43 g/mol
LogP3.86
Rot. Bonds1

About 3,3-dimethyl-2-phenyl-[1,2,4,3]triazasilolo[5,4-a]isoquinoline

3,3-dimethyl-2-phenyl-[1,2,4,3]triazasilolo[5,4-a]isoquinoline (PubChem CID 177409767) has the molecular formula C17H17N3Si and a molecular weight of 291.43 g/mol. Its IUPAC name is 3,3-dimethyl-2-phenyl-[1,2,4,3]triazasilolo[5,4-a]isoquinoline.

Molecular Properties

Compound Name3,3-dimethyl-2-phenyl-[1,2,4,3]triazasilolo[5,4-a]isoquinoline
PubChem CID177409767
Molecular FormulaC17H17N3Si
Molecular Weight291.43 g/mol
Exact Mass291.12
IUPAC Name3,3-dimethyl-2-phenyl-[1,2,4,3]triazasilolo[5,4-a]isoquinoline
SMILESC[Si]1(C)N2C=Cc3ccccc3C2=NN1c1ccccc1
InChIInChI=1S/C17H17N3Si/c1-21(2)19-13-12-14-8-6-7-11-16(14)17(19)18-20(21)15-9-4-3-5-10-15/h3-13H,1-2H3
InChIKeyXAGRLIDBVOKHAJ-UHFFFAOYSA-N
XLogP3.86
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.43
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3,3-dimethyl-2-phenyl-[1,2,4,3]triazasilolo[5,4-a]isoquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-[1,2,4]triazino[3,2-a]isoquinoline
CID 140590948
5-methylbenzo[d][1]benzazepine
CID 67174397
(10Z,13Z)-12-methyl-2,3-dimethylidene-12-azatricyclo[13.4.0.04,9]nonadeca-1(19),4,6,8,10,13,15,17-octaene
CID 145387131
3,13-diazapentacyclo[14.2.2.02,15.03,12.06,11]icosa-2(15),4,6,8,10,12-hexaene
CID 146184173
11-(1-methylpiperidin-4-ylidene)pyrrolo[2,1-b][3]benzazepine
CID 12909385
6-(4-methylphenyl)-4-phenyl-3-(4-phenylphenyl)-5H-1,2,4-triazine
CID 163483032
tricyclo[14.4.0.02,7]icosa-1(20),2,4,6,8,10,12,14,16,18-decaene
CID 123254733
iridium;tris(2-phenyl-1H-isoquinoline)
CID 158402559
2-methylsulfanyl-1-phenylpyrrole
CID 151074819
2-propan-2-ylidenetricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene
CID 14290121
11-phenylbenzo[b][1]benzazepine
CID 11514559
3-hydroxy-3-benzazepine
CID 56629441

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-phenyl-[1,2,4,3]triazasilolo[5,4-a]isoquinoline?
The IUPAC name of 3,3-dimethyl-2-phenyl-[1,2,4,3]triazasilolo[5,4-a]isoquinoline (CID 177409767) is 3,3-dimethyl-2-phenyl-[1,2,4,3]triazasilolo[5,4-a]isoquinoline.
What is the SMILES notation for 3,3-dimethyl-2-phenyl-[1,2,4,3]triazasilolo[5,4-a]isoquinoline?
The canonical SMILES for 3,3-dimethyl-2-phenyl-[1,2,4,3]triazasilolo[5,4-a]isoquinoline is C[Si]1(C)N2C=Cc3ccccc3C2=NN1c1ccccc1.
What is the InChIKey of 3,3-dimethyl-2-phenyl-[1,2,4,3]triazasilolo[5,4-a]isoquinoline?
The InChIKey is XAGRLIDBVOKHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3Si/c1-21(2)19-13-12-14-8-6-7-11-16(14)17(19)18-20(21)15-9-4-3-5-10-15/h3-13H,1-2H3.
What are the key properties of 3,3-dimethyl-2-phenyl-[1,2,4,3]triazasilolo[5,4-a]isoquinoline?
3,3-dimethyl-2-phenyl-[1,2,4,3]triazasilolo[5,4-a]isoquinoline has a molecular weight of 291.43 g/mol, XLogP of 3.86, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-phenyl-[1,2,4,3]triazasilolo[5,4-a]isoquinoline is sourced from PubChem (CID 177409767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).