9,10-dimethoxy-7-phenyl-2,12-dihydro-[1,2,4]triazino[4,3-c][2,3]benzodiazepine-3,4-dione

C19H16N4O4 — CID 11824645

IUPAC9,10-dimethoxy-7-phenyl-2,12-dihydro-[1,2,4]triazino[4,3-c][2,3]benzodiazepine-3,4-dione
SMILESCOc1cc2c(cc1OC)C(c1ccccc1)=Nn1c(n[nH]c(=O)c1=O)C2
InChIInChI=1S/C19H16N4O4/c1-26-14-8-12-9-16-20-21-18(24)19(25)23(16)22-17(11-6-4-3-5-7-11)13(12)10-15(14)27-2/h3-8,10H,9H2,1-2H3,(H,21,24)
InChIKeyXILTUDGIRZSMQL-UHFFFAOYSA-N
MW364.36 g/mol
LogP1.15
Rot. Bonds3

About 9,10-dimethoxy-7-phenyl-2,12-dihydro-[1,2,4]triazino[4,3-c][2,3]benzodiazepine-3,4-dione

9,10-dimethoxy-7-phenyl-2,12-dihydro-[1,2,4]triazino[4,3-c][2,3]benzodiazepine-3,4-dione (PubChem CID 11824645) has the molecular formula C19H16N4O4 and a molecular weight of 364.36 g/mol. Its IUPAC name is 9,10-dimethoxy-7-phenyl-2,12-dihydro-[1,2,4]triazino[4,3-c][2,3]benzodiazepine-3,4-dione.

Molecular Properties

Compound Name9,10-dimethoxy-7-phenyl-2,12-dihydro-[1,2,4]triazino[4,3-c][2,3]benzodiazepine-3,4-dione
PubChem CID11824645
Molecular FormulaC19H16N4O4
Molecular Weight364.36 g/mol
Exact Mass364.12
IUPAC Name9,10-dimethoxy-7-phenyl-2,12-dihydro-[1,2,4]triazino[4,3-c][2,3]benzodiazepine-3,4-dione
SMILESCOc1cc2c(cc1OC)C(c1ccccc1)=Nn1c(n[nH]c(=O)c1=O)C2
InChIInChI=1S/C19H16N4O4/c1-26-14-8-12-9-16-20-21-18(24)19(25)23(16)22-17(11-6-4-3-5-7-11)13(12)10-15(14)27-2/h3-8,10H,9H2,1-2H3,(H,21,24)
InChIKeyXILTUDGIRZSMQL-UHFFFAOYSA-N
XLogP1.15
TPSA98.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.36
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9,10-dimethoxy-7-phenyl-2,12-dihydro-[1,2,4]triazino[4,3-c][2,3]benzodiazepine-3,4-dione?
The IUPAC name of 9,10-dimethoxy-7-phenyl-2,12-dihydro-[1,2,4]triazino[4,3-c][2,3]benzodiazepine-3,4-dione (CID 11824645) is 9,10-dimethoxy-7-phenyl-2,12-dihydro-[1,2,4]triazino[4,3-c][2,3]benzodiazepine-3,4-dione.
What is the SMILES notation for 9,10-dimethoxy-7-phenyl-2,12-dihydro-[1,2,4]triazino[4,3-c][2,3]benzodiazepine-3,4-dione?
The canonical SMILES for 9,10-dimethoxy-7-phenyl-2,12-dihydro-[1,2,4]triazino[4,3-c][2,3]benzodiazepine-3,4-dione is COc1cc2c(cc1OC)C(c1ccccc1)=Nn1c(n[nH]c(=O)c1=O)C2.
What is the InChIKey of 9,10-dimethoxy-7-phenyl-2,12-dihydro-[1,2,4]triazino[4,3-c][2,3]benzodiazepine-3,4-dione?
The InChIKey is XILTUDGIRZSMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O4/c1-26-14-8-12-9-16-20-21-18(24)19(25)23(16)22-17(11-6-4-3-5-7-11)13(12)10-15(14)27-2/h3-8,10H,9H2,1-2H3,(H,21,24).
What are the key properties of 9,10-dimethoxy-7-phenyl-2,12-dihydro-[1,2,4]triazino[4,3-c][2,3]benzodiazepine-3,4-dione?
9,10-dimethoxy-7-phenyl-2,12-dihydro-[1,2,4]triazino[4,3-c][2,3]benzodiazepine-3,4-dione has a molecular weight of 364.36 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-dimethoxy-7-phenyl-2,12-dihydro-[1,2,4]triazino[4,3-c][2,3]benzodiazepine-3,4-dione is sourced from PubChem (CID 11824645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).