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

C15H18N4O — CID 66505617

IUPAC2-cyclohexyl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one
SMILESO=C1CCCc2c1cnc1nc(C3CCCCC3)nn21
InChIInChI=1S/C15H18N4O/c20-13-8-4-7-12-11(13)9-16-15-17-14(18-19(12)15)10-5-2-1-3-6-10/h9-10H,1-8H2
InChIKeyMWCGCHYWAIYGDY-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.69
Rot. Bonds1

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

2-cyclohexyl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one (PubChem CID 66505617) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 2-cyclohexyl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one.

Molecular Properties

Compound Name2-cyclohexyl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one
PubChem CID66505617
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name2-cyclohexyl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one
SMILESO=C1CCCc2c1cnc1nc(C3CCCCC3)nn21
InChIInChI=1S/C15H18N4O/c20-13-8-4-7-12-11(13)9-16-15-17-14(18-19(12)15)10-5-2-1-3-6-10/h9-10H,1-8H2
InChIKeyMWCGCHYWAIYGDY-UHFFFAOYSA-N
XLogP2.69
TPSA60.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one?
The IUPAC name of 2-cyclohexyl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one (CID 66505617) is 2-cyclohexyl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one.
What is the SMILES notation for 2-cyclohexyl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one?
The canonical SMILES for 2-cyclohexyl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one is O=C1CCCc2c1cnc1nc(C3CCCCC3)nn21.
What is the InChIKey of 2-cyclohexyl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one?
The InChIKey is MWCGCHYWAIYGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c20-13-8-4-7-12-11(13)9-16-15-17-14(18-19(12)15)10-5-2-1-3-6-10/h9-10H,1-8H2.
What are the key properties of 2-cyclohexyl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one?
2-cyclohexyl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one has a molecular weight of 270.34 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one is sourced from PubChem (CID 66505617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).