N-(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-phenylpropanamide

C20H19N5O2 — CID 664858

IUPACN-(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1nc2n(n1)C(c1ccccc1)CC(=O)N2
InChIInChI=1S/C20H19N5O2/c26-17(12-11-14-7-3-1-4-8-14)21-19-23-20-22-18(27)13-16(25(20)24-19)15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H2,21,22,23,24,26,27)
InChIKeySQHRSYCJJGYSLG-UHFFFAOYSA-N
MW361.41 g/mol
LogP2.78
Rot. Bonds5

About N-(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-phenylpropanamide

N-(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-phenylpropanamide (PubChem CID 664858) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is N-(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-phenylpropanamide
PubChem CID664858
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC NameN-(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1nc2n(n1)C(c1ccccc1)CC(=O)N2
InChIInChI=1S/C20H19N5O2/c26-17(12-11-14-7-3-1-4-8-14)21-19-23-20-22-18(27)13-16(25(20)24-19)15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H2,21,22,23,24,26,27)
InChIKeySQHRSYCJJGYSLG-UHFFFAOYSA-N
XLogP2.78
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-phenylpropanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-phenylpropanamide?
The IUPAC name of N-(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-phenylpropanamide (CID 664858) is N-(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-phenylpropanamide.
What is the SMILES notation for N-(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-phenylpropanamide?
The canonical SMILES for N-(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-phenylpropanamide is O=C(CCc1ccccc1)Nc1nc2n(n1)C(c1ccccc1)CC(=O)N2.
What is the InChIKey of N-(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-phenylpropanamide?
The InChIKey is SQHRSYCJJGYSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c26-17(12-11-14-7-3-1-4-8-14)21-19-23-20-22-18(27)13-16(25(20)24-19)15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H2,21,22,23,24,26,27).
What are the key properties of N-(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-phenylpropanamide?
N-(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-phenylpropanamide has a molecular weight of 361.41 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-phenylpropanamide is sourced from PubChem (CID 664858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).