2,5-dibenzyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C19H16N4O — CID 155530967

IUPAC2,5-dibenzyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(Cc2ccccc2)nc2nc(Cc3ccccc3)[nH]n12
InChIInChI=1S/C19H16N4O/c24-18-13-16(11-14-7-3-1-4-8-14)20-19-21-17(22-23(18)19)12-15-9-5-2-6-10-15/h1-10,13H,11-12H2,(H,20,21,22)
InChIKeyZANWSCYBEZAQPM-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.60
Rot. Bonds4

About 2,5-dibenzyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

2,5-dibenzyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 155530967) has the molecular formula C19H16N4O and a molecular weight of 316.36 g/mol. Its IUPAC name is 2,5-dibenzyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2,5-dibenzyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID155530967
Molecular FormulaC19H16N4O
Molecular Weight316.36 g/mol
Exact Mass316.13
IUPAC Name2,5-dibenzyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(Cc2ccccc2)nc2nc(Cc3ccccc3)[nH]n12
InChIInChI=1S/C19H16N4O/c24-18-13-16(11-14-7-3-1-4-8-14)20-19-21-17(22-23(18)19)12-15-9-5-2-6-10-15/h1-10,13H,11-12H2,(H,20,21,22)
InChIKeyZANWSCYBEZAQPM-UHFFFAOYSA-N
XLogP2.60
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 ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Phenyl-s-triazolo(1,5-a)pyrimidin-7-ol
CID 202792
2-Methyl-5-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
CID 666383
5-methyl-2,3-diphenylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 5039735
2-(4-Fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-ol
CID 1232838
5-ethyl-2,3-diphenylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 17584764
2,5-diphenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 661929
5-Tert-butyl-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-ol
CID 665720
5-Isopropyl-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-ol
CID 666835
2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 879154
2-phenethyl-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one
CID 935179
5-(4-fluorophenyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 7339688
2-Benzyl-5-(2,3-difluorophenylsulfanylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
CID 24804051

Frequently Asked Questions

What is the IUPAC name of 2,5-dibenzyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2,5-dibenzyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 155530967) is 2,5-dibenzyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2,5-dibenzyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2,5-dibenzyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is O=c1cc(Cc2ccccc2)nc2nc(Cc3ccccc3)[nH]n12.
What is the InChIKey of 2,5-dibenzyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is ZANWSCYBEZAQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O/c24-18-13-16(11-14-7-3-1-4-8-14)20-19-21-17(22-23(18)19)12-15-9-5-2-6-10-15/h1-10,13H,11-12H2,(H,20,21,22).
What are the key properties of 2,5-dibenzyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
2,5-dibenzyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 316.36 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibenzyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 155530967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).