5-phenyl-2-(2-phenylethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C19H16N4O — CID 1263357

IUPAC5-phenyl-2-(2-phenylethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(-c2ccccc2)nc2nc(CCc3ccccc3)[nH]n12
InChIInChI=1S/C19H16N4O/c24-18-13-16(15-9-5-2-6-10-15)20-19-21-17(22-23(18)19)12-11-14-7-3-1-4-8-14/h1-10,13H,11-12H2,(H,20,21,22)
InChIKeyNBMMXEKCPQMHBN-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.87
Rot. Bonds4

About 5-phenyl-2-(2-phenylethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

5-phenyl-2-(2-phenylethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 1263357) has the molecular formula C19H16N4O and a molecular weight of 316.36 g/mol. Its IUPAC name is 5-phenyl-2-(2-phenylethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-phenyl-2-(2-phenylethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID1263357
Molecular FormulaC19H16N4O
Molecular Weight316.36 g/mol
Exact Mass316.13
IUPAC Name5-phenyl-2-(2-phenylethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(-c2ccccc2)nc2nc(CCc3ccccc3)[nH]n12
InChIInChI=1S/C19H16N4O/c24-18-13-16(15-9-5-2-6-10-15)20-19-21-17(22-23(18)19)12-11-14-7-3-1-4-8-14/h1-10,13H,11-12H2,(H,20,21,22)
InChIKeyNBMMXEKCPQMHBN-UHFFFAOYSA-N
XLogP2.87
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2-(2-phenylethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-phenyl-2-(2-phenylethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 1263357) is 5-phenyl-2-(2-phenylethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-phenyl-2-(2-phenylethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-phenyl-2-(2-phenylethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is O=c1cc(-c2ccccc2)nc2nc(CCc3ccccc3)[nH]n12.
What is the InChIKey of 5-phenyl-2-(2-phenylethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is NBMMXEKCPQMHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O/c24-18-13-16(15-9-5-2-6-10-15)20-19-21-17(22-23(18)19)12-11-14-7-3-1-4-8-14/h1-10,13H,11-12H2,(H,20,21,22).
What are the key properties of 5-phenyl-2-(2-phenylethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
5-phenyl-2-(2-phenylethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 316.36 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-2-(2-phenylethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 1263357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).