10-methyl-4-phenyl-2,4,6-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),7(12),8,10,13,15-hexaene-3,5-dione

C21H15N3O2 — CID 177308190

IUPAC10-methyl-4-phenyl-2,4,6-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),7(12),8,10,13,15-hexaene-3,5-dione
SMILESCc1ccc2c(c1)c1ccccc1n1c(=O)n(-c3ccccc3)c(=O)n21
InChIInChI=1S/C21H15N3O2/c1-14-11-12-19-17(13-14)16-9-5-6-10-18(16)23-20(25)22(21(26)24(19)23)15-7-3-2-4-8-15/h2-13H,1H3
InChIKeyJRUZVFCKXGSYQW-UHFFFAOYSA-N
MW341.37 g/mol
LogP3.16
Rot. Bonds1

About 10-methyl-4-phenyl-2,4,6-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),7(12),8,10,13,15-hexaene-3,5-dione

10-methyl-4-phenyl-2,4,6-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),7(12),8,10,13,15-hexaene-3,5-dione (PubChem CID 177308190) has the molecular formula C21H15N3O2 and a molecular weight of 341.37 g/mol. Its IUPAC name is 10-methyl-4-phenyl-2,4,6-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),7(12),8,10,13,15-hexaene-3,5-dione.

Molecular Properties

Compound Name10-methyl-4-phenyl-2,4,6-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),7(12),8,10,13,15-hexaene-3,5-dione
PubChem CID177308190
Molecular FormulaC21H15N3O2
Molecular Weight341.37 g/mol
Exact Mass341.12
IUPAC Name10-methyl-4-phenyl-2,4,6-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),7(12),8,10,13,15-hexaene-3,5-dione
SMILESCc1ccc2c(c1)c1ccccc1n1c(=O)n(-c3ccccc3)c(=O)n21
InChIInChI=1S/C21H15N3O2/c1-14-11-12-19-17(13-14)16-9-5-6-10-18(16)23-20(25)22(21(26)24(19)23)15-7-3-2-4-8-15/h2-13H,1H3
InChIKeyJRUZVFCKXGSYQW-UHFFFAOYSA-N
XLogP3.16
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 10-methyl-4-phenyl-2,4,6-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),7(12),8,10,13,15-hexaene-3,5-dione with MolForge

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Related Compounds

1-(2,6-difluorophenyl)-4-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)tetrazol-5-one
CID 58502200
9,16-Difluoro-4-phenyl-2,4,6-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),7(12),8,10,14,16-hexaene-3,5-dione
CID 177308182
4-Phenyl-10-(trifluoromethyl)-2,4,6-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),7(12),8,10,13,15-hexaene-3,5-dione
CID 177308184
9-Fluoro-4-phenyl-2,4,6-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),7(12),8,10,13,15-hexaene-3,5-dione
CID 177308187
10-Fluoro-4-phenyl-2,4,6-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),7(12),8,10,13,15-hexaene-3,5-dione
CID 177308188
1,8-Dimethyl-17-phenyl-15,17,19-triazapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 101952498
17-[2,6-Di(propan-2-yl)phenyl]-1,8-dimethyl-15,17,19-triazapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 101952500
1,8-Diethyl-17-phenyl-15,17,19-triazapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 139242465
2-(4-Benzylphenyl)tetrahydro-1h-[1,2,4]triazolo[1,2-a]pyridazine-1,3(2h)-dione
CID 186950
6H-Benz[5,10]anthra[1,9,8-cdef]benzo[h][1,2,4]triazolo[1,2-a]cinnoline-6,8(7H)-dione, 7-phenyl-
CID 631232
2,5,8-Triphenyl-1H-(1,2,4)triazolo(1,2-a)pyridazine-1,3(2H)-dione
CID 13693147
1,3,5-Tris(2,4-dimethylphenyl)-1,3,5-triazinane-2,4,6-trione
CID 139686334

Frequently Asked Questions

What is the IUPAC name of 10-methyl-4-phenyl-2,4,6-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),7(12),8,10,13,15-hexaene-3,5-dione?
The IUPAC name of 10-methyl-4-phenyl-2,4,6-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),7(12),8,10,13,15-hexaene-3,5-dione (CID 177308190) is 10-methyl-4-phenyl-2,4,6-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),7(12),8,10,13,15-hexaene-3,5-dione.
What is the SMILES notation for 10-methyl-4-phenyl-2,4,6-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),7(12),8,10,13,15-hexaene-3,5-dione?
The canonical SMILES for 10-methyl-4-phenyl-2,4,6-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),7(12),8,10,13,15-hexaene-3,5-dione is Cc1ccc2c(c1)c1ccccc1n1c(=O)n(-c3ccccc3)c(=O)n21.
What is the InChIKey of 10-methyl-4-phenyl-2,4,6-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),7(12),8,10,13,15-hexaene-3,5-dione?
The InChIKey is JRUZVFCKXGSYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O2/c1-14-11-12-19-17(13-14)16-9-5-6-10-18(16)23-20(25)22(21(26)24(19)23)15-7-3-2-4-8-15/h2-13H,1H3.
What are the key properties of 10-methyl-4-phenyl-2,4,6-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),7(12),8,10,13,15-hexaene-3,5-dione?
10-methyl-4-phenyl-2,4,6-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),7(12),8,10,13,15-hexaene-3,5-dione has a molecular weight of 341.37 g/mol, XLogP of 3.16, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-4-phenyl-2,4,6-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),7(12),8,10,13,15-hexaene-3,5-dione is sourced from PubChem (CID 177308190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).