4-benzyl-7-phenyl-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one

C18H16N4O — CID 53329066

IUPAC4-benzyl-7-phenyl-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
SMILESO=C1CC(c2ccccc2)n2ncnc2N1Cc1ccccc1
InChIInChI=1S/C18H16N4O/c23-17-11-16(15-9-5-2-6-10-15)22-18(19-13-20-22)21(17)12-14-7-3-1-4-8-14/h1-10,13,16H,11-12H2
InChIKeyAFZZKSSHILJFIQ-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.80
Rot. Bonds3

About 4-benzyl-7-phenyl-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one

4-benzyl-7-phenyl-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one (PubChem CID 53329066) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is 4-benzyl-7-phenyl-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name4-benzyl-7-phenyl-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
PubChem CID53329066
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC Name4-benzyl-7-phenyl-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
SMILESO=C1CC(c2ccccc2)n2ncnc2N1Cc1ccccc1
InChIInChI=1S/C18H16N4O/c23-17-11-16(15-9-5-2-6-10-15)22-18(19-13-20-22)21(17)12-14-7-3-1-4-8-14/h1-10,13,16H,11-12H2
InChIKeyAFZZKSSHILJFIQ-UHFFFAOYSA-N
XLogP2.80
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-7-phenyl-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 4-benzyl-7-phenyl-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one (CID 53329066) is 4-benzyl-7-phenyl-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 4-benzyl-7-phenyl-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 4-benzyl-7-phenyl-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one is O=C1CC(c2ccccc2)n2ncnc2N1Cc1ccccc1.
What is the InChIKey of 4-benzyl-7-phenyl-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The InChIKey is AFZZKSSHILJFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O/c23-17-11-16(15-9-5-2-6-10-15)22-18(19-13-20-22)21(17)12-14-7-3-1-4-8-14/h1-10,13,16H,11-12H2.
What are the key properties of 4-benzyl-7-phenyl-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
4-benzyl-7-phenyl-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one has a molecular weight of 304.35 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-7-phenyl-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 53329066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).