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

C21H19N5O3 — CID 135532049

IUPACN-(2-benzyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2-phenoxypropanamide
SMILESCC(Oc1ccccc1)C(=O)Nc1cc(=O)[nH]c2nc(Cc3ccccc3)nn12
InChIInChI=1S/C21H19N5O3/c1-14(29-16-10-6-3-7-11-16)20(28)23-18-13-19(27)24-21-22-17(25-26(18)21)12-15-8-4-2-5-9-15/h2-11,13-14H,12H2,1H3,(H,23,28)(H,22,24,25,27)
InChIKeyDIZINOARKBDQBR-UHFFFAOYSA-N
MW389.42 g/mol
LogP2.41
Rot. Bonds6

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

N-(2-benzyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2-phenoxypropanamide (PubChem CID 135532049) has the molecular formula C21H19N5O3 and a molecular weight of 389.42 g/mol. Its IUPAC name is N-(2-benzyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2-phenoxypropanamide.

Molecular Properties

Compound NameN-(2-benzyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2-phenoxypropanamide
PubChem CID135532049
Molecular FormulaC21H19N5O3
Molecular Weight389.42 g/mol
Exact Mass389.15
IUPAC NameN-(2-benzyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2-phenoxypropanamide
SMILESCC(Oc1ccccc1)C(=O)Nc1cc(=O)[nH]c2nc(Cc3ccccc3)nn12
InChIInChI=1S/C21H19N5O3/c1-14(29-16-10-6-3-7-11-16)20(28)23-18-13-19(27)24-21-22-17(25-26(18)21)12-15-8-4-2-5-9-15/h2-11,13-14H,12H2,1H3,(H,23,28)(H,22,24,25,27)
InChIKeyDIZINOARKBDQBR-UHFFFAOYSA-N
XLogP2.41
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(2-benzyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2-phenoxypropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-benzyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2-(4-chlorophenyl)acetamide
CID 135472131
(2R)-2-(1,3-dioxoisoindol-2-yl)-N-[5-oxo-2-(2-phenylethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]propanamide
CID 136701520
4-chloro-N-[5-oxo-2-(phenoxymethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]benzamide
CID 135472180
(2S)-N-(2-benzylpyrazol-3-yl)-2-phenoxypropanamide
CID 30804831
N-(5-oxo-2-propyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)propanamide
CID 135520836
2-phenoxy-N-[4-(2-phenylethoxy)phenyl]propanamide
CID 17066974
N-(5-benzyl-1,3-thiazol-2-yl)-2-phenoxypropanamide
CID 2988067
N-(2-benzyl-5-methylpyrazol-3-yl)-2-(3-chlorophenoxy)propanamide
CID 45154155
2-phenoxy-N-(3-phenylmethoxy-2-pyridinyl)propanamide
CID 73441719
(2R)-2-phenoxy-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 807864
N-methyl-2-phenoxypropanamide
CID 4626974
N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-2-phenoxypropanamide
CID 121119228

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)-2-phenoxypropanamide?
The IUPAC name of N-(2-benzyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2-phenoxypropanamide (CID 135532049) is N-(2-benzyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2-phenoxypropanamide.
What is the SMILES notation for N-(2-benzyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2-phenoxypropanamide?
The canonical SMILES for N-(2-benzyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2-phenoxypropanamide is CC(Oc1ccccc1)C(=O)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)-2-phenoxypropanamide?
The InChIKey is DIZINOARKBDQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O3/c1-14(29-16-10-6-3-7-11-16)20(28)23-18-13-19(27)24-21-22-17(25-26(18)21)12-15-8-4-2-5-9-15/h2-11,13-14H,12H2,1H3,(H,23,28)(H,22,24,25,27).
What are the key properties of N-(2-benzyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2-phenoxypropanamide?
N-(2-benzyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2-phenoxypropanamide has a molecular weight of 389.42 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 6 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)-2-phenoxypropanamide is sourced from PubChem (CID 135532049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).