10-chloro-3-phenyl-7H-[1,2,4]triazino[2,3-c]quinazoline-2,6-dione

C16H9ClN4O2 — CID 56795629

IUPAC10-chloro-3-phenyl-7H-[1,2,4]triazino[2,3-c]quinazoline-2,6-dione
SMILESO=c1nc2c3cc(Cl)ccc3[nH]c(=O)n2nc1-c1ccccc1
InChIInChI=1S/C16H9ClN4O2/c17-10-6-7-12-11(8-10)14-19-15(22)13(9-4-2-1-3-5-9)20-21(14)16(23)18-12/h1-8H,(H,18,23)
InChIKeyRKESIFLIMOBORL-UHFFFAOYSA-N
MW324.73 g/mol
LogP2.25
Rot. Bonds1

About 10-chloro-3-phenyl-7H-[1,2,4]triazino[2,3-c]quinazoline-2,6-dione

10-chloro-3-phenyl-7H-[1,2,4]triazino[2,3-c]quinazoline-2,6-dione (PubChem CID 56795629) has the molecular formula C16H9ClN4O2 and a molecular weight of 324.73 g/mol. Its IUPAC name is 10-chloro-3-phenyl-7H-[1,2,4]triazino[2,3-c]quinazoline-2,6-dione.

Molecular Properties

Compound Name10-chloro-3-phenyl-7H-[1,2,4]triazino[2,3-c]quinazoline-2,6-dione
PubChem CID56795629
Molecular FormulaC16H9ClN4O2
Molecular Weight324.73 g/mol
Exact Mass324.04
IUPAC Name10-chloro-3-phenyl-7H-[1,2,4]triazino[2,3-c]quinazoline-2,6-dione
SMILESO=c1nc2c3cc(Cl)ccc3[nH]c(=O)n2nc1-c1ccccc1
InChIInChI=1S/C16H9ClN4O2/c17-10-6-7-12-11(8-10)14-19-15(22)13(9-4-2-1-3-5-9)20-21(14)16(23)18-12/h1-8H,(H,18,23)
InChIKeyRKESIFLIMOBORL-UHFFFAOYSA-N
XLogP2.25
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.73
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 10-chloro-3-phenyl-7H-[1,2,4]triazino[2,3-c]quinazoline-2,6-dione?
The IUPAC name of 10-chloro-3-phenyl-7H-[1,2,4]triazino[2,3-c]quinazoline-2,6-dione (CID 56795629) is 10-chloro-3-phenyl-7H-[1,2,4]triazino[2,3-c]quinazoline-2,6-dione.
What is the SMILES notation for 10-chloro-3-phenyl-7H-[1,2,4]triazino[2,3-c]quinazoline-2,6-dione?
The canonical SMILES for 10-chloro-3-phenyl-7H-[1,2,4]triazino[2,3-c]quinazoline-2,6-dione is O=c1nc2c3cc(Cl)ccc3[nH]c(=O)n2nc1-c1ccccc1.
What is the InChIKey of 10-chloro-3-phenyl-7H-[1,2,4]triazino[2,3-c]quinazoline-2,6-dione?
The InChIKey is RKESIFLIMOBORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClN4O2/c17-10-6-7-12-11(8-10)14-19-15(22)13(9-4-2-1-3-5-9)20-21(14)16(23)18-12/h1-8H,(H,18,23).
What are the key properties of 10-chloro-3-phenyl-7H-[1,2,4]triazino[2,3-c]quinazoline-2,6-dione?
10-chloro-3-phenyl-7H-[1,2,4]triazino[2,3-c]quinazoline-2,6-dione has a molecular weight of 324.73 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-chloro-3-phenyl-7H-[1,2,4]triazino[2,3-c]quinazoline-2,6-dione is sourced from PubChem (CID 56795629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).