2-cyclohexyl-8-phenyl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one

C21H22N4O — CID 66506060

About 2-cyclohexyl-8-phenyl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one

2-cyclohexyl-8-phenyl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one (PubChem CID 66506060) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-cyclohexyl-8-phenyl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one.

Molecular Properties

• Compound Name: 2-cyclohexyl-8-phenyl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one
• PubChem CID: 66506060
• Molecular Formula: C21H22N4O
• Molecular Weight: 346.43 g/mol
• Exact Mass: 346.18
• IUPAC Name: 2-cyclohexyl-8-phenyl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one
• SMILES: O=C1CC(c2ccccc2)Cc2c1cnc1nc(C3CCCCC3)nn21
• InChI: InChI=1S/C21H22N4O/c26-19-12-16(14-7-3-1-4-8-14)11-18-17(19)13-22-21-23-20(24-25(18)21)15-9-5-2-6-10-15/h1,3-4,7-8,13,15-16H,2,5-6,9-12H2
• InChIKey: MCUWWRPMKPNPEV-UHFFFAOYSA-N
• XLogP: 4.08
• TPSA: 60.15 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	346.43
LogP ≤ 5	4.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-8-phenyl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one?

The IUPAC name of 2-cyclohexyl-8-phenyl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one (CID 66506060) is 2-cyclohexyl-8-phenyl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one.

What is the SMILES notation for 2-cyclohexyl-8-phenyl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one?

The canonical SMILES for 2-cyclohexyl-8-phenyl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one is O=C1CC(c2ccccc2)Cc2c1cnc1nc(C3CCCCC3)nn21.

What is the InChIKey of 2-cyclohexyl-8-phenyl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one?

The InChIKey is MCUWWRPMKPNPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c26-19-12-16(14-7-3-1-4-8-14)11-18-17(19)13-22-21-23-20(24-25(18)21)15-9-5-2-6-10-15/h1,3-4,7-8,13,15-16H,2,5-6,9-12H2.

What are the key properties of 2-cyclohexyl-8-phenyl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one?

2-cyclohexyl-8-phenyl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one has a molecular weight of 346.43 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclohexyl-8-phenyl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one is sourced from PubChem (CID 66506060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).