6-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one

C15H12N4O — CID 3161780

IUPAC6-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
SMILESO=C1CC(c2ccccc2)Cc2nc3ncnn3cc21
InChIInChI=1S/C15H12N4O/c20-14-7-11(10-4-2-1-3-5-10)6-13-12(14)8-19-15(18-13)16-9-17-19/h1-5,8-9,11H,6-7H2
InChIKeyOZTQSIIEIGROED-UHFFFAOYSA-N
MW264.29 g/mol
LogP2.04
Rot. Bonds1

About 6-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one

6-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one (PubChem CID 3161780) has the molecular formula C15H12N4O and a molecular weight of 264.29 g/mol. Its IUPAC name is 6-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one.

Molecular Properties

Compound Name6-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
PubChem CID3161780
Molecular FormulaC15H12N4O
Molecular Weight264.29 g/mol
Exact Mass264.10
IUPAC Name6-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
SMILESO=C1CC(c2ccccc2)Cc2nc3ncnn3cc21
InChIInChI=1S/C15H12N4O/c20-14-7-11(10-4-2-1-3-5-10)6-13-12(14)8-19-15(18-13)16-9-17-19/h1-5,8-9,11H,6-7H2
InChIKeyOZTQSIIEIGROED-UHFFFAOYSA-N
XLogP2.04
TPSA60.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one?
The IUPAC name of 6-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one (CID 3161780) is 6-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one.
What is the SMILES notation for 6-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one?
The canonical SMILES for 6-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one is O=C1CC(c2ccccc2)Cc2nc3ncnn3cc21.
What is the InChIKey of 6-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one?
The InChIKey is OZTQSIIEIGROED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O/c20-14-7-11(10-4-2-1-3-5-10)6-13-12(14)8-19-15(18-13)16-9-17-19/h1-5,8-9,11H,6-7H2.
What are the key properties of 6-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one?
6-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one has a molecular weight of 264.29 g/mol, XLogP of 2.04, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one is sourced from PubChem (CID 3161780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).