N-(2-benzyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-phenylpropanamide

C21H19N5O2 — CID 135472237

IUPACN-(2-benzyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1cc(=O)[nH]c2nc(Cc3ccccc3)nn12
InChIInChI=1S/C21H19N5O2/c27-19(12-11-15-7-3-1-4-8-15)23-18-14-20(28)24-21-22-17(25-26(18)21)13-16-9-5-2-6-10-16/h1-10,14H,11-13H2,(H,23,27)(H,22,24,25,28)
InChIKeyRITABOCSAKFYJS-UHFFFAOYSA-N
MW373.42 g/mol
LogP2.58
Rot. Bonds6

About N-(2-benzyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-phenylpropanamide

N-(2-benzyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-phenylpropanamide (PubChem CID 135472237) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is N-(2-benzyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(2-benzyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-phenylpropanamide
PubChem CID135472237
Molecular FormulaC21H19N5O2
Molecular Weight373.42 g/mol
Exact Mass373.15
IUPAC NameN-(2-benzyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1cc(=O)[nH]c2nc(Cc3ccccc3)nn12
InChIInChI=1S/C21H19N5O2/c27-19(12-11-15-7-3-1-4-8-15)23-18-14-20(28)24-21-22-17(25-26(18)21)13-16-9-5-2-6-10-16/h1-10,14H,11-13H2,(H,23,27)(H,22,24,25,28)
InChIKeyRITABOCSAKFYJS-UHFFFAOYSA-N
XLogP2.58
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-hydroxy-2-(4-methylphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-2-methylpropanamide
CID 135520923
N-[5-hydroxy-2-(3-methylphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-2-methylpropanamide
CID 135448581
N-(5-hydroxy-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-methylbutanamide
CID 135472128
N-(5-hydroxy-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)cyclohexanecarboxamide
CID 135519712
3-phenyl-1-(phenylacetyl)-1H-1,2,4-triazol-5-amine
CID 969682
3-(4-methylphenyl)-1-(phenylacetyl)-1H-1,2,4-triazol-5-amine
CID 974955
3-phenyl-N-(3-phenyl-1H-1,2,4-triazol-5-yl)propanamide
CID 17487156
6,6,13-Trimethyl-2-phenyl-9,11,12,14,16-pentazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),12,14-tetraene-4,17-dione
CID 135417573
1-(5-Amino-3-phenyl-1,2,4-triazol-1-yl)-3-phenylpropan-1-one
CID 828603
7-methyl-2-phenacyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
CID 136747705
5-methyl-3-phenacyl-8H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one
CID 137265242
5-Methyl-2,7-diphenyl-4H,7H-[1,2,4]triazolo[1,5-A]pyrimidine-6-carboxamide
CID 4101560

Frequently Asked Questions

What is the IUPAC name of N-(2-benzyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-phenylpropanamide?
The IUPAC name of N-(2-benzyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-phenylpropanamide (CID 135472237) is N-(2-benzyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-phenylpropanamide.
What is the SMILES notation for N-(2-benzyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-phenylpropanamide?
The canonical SMILES for N-(2-benzyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-phenylpropanamide is O=C(CCc1ccccc1)Nc1cc(=O)[nH]c2nc(Cc3ccccc3)nn12.
What is the InChIKey of N-(2-benzyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-phenylpropanamide?
The InChIKey is RITABOCSAKFYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2/c27-19(12-11-15-7-3-1-4-8-15)23-18-14-20(28)24-21-22-17(25-26(18)21)13-16-9-5-2-6-10-16/h1-10,14H,11-13H2,(H,23,27)(H,22,24,25,28).
What are the key properties of N-(2-benzyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-phenylpropanamide?
N-(2-benzyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-phenylpropanamide has a molecular weight of 373.42 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-phenylpropanamide is sourced from PubChem (CID 135472237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).