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

C20H17N5O2 — CID 661836

IUPACN-(7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1nc2nc(-c3ccccc3)cc(=O)n2[nH]1
InChIInChI=1S/C20H17N5O2/c26-17(12-11-14-7-3-1-4-8-14)22-19-23-20-21-16(13-18(27)25(20)24-19)15-9-5-2-6-10-15/h1-10,13H,11-12H2,(H2,21,22,23,24,26)
InChIKeyWDLUHGGPAIUCCK-UHFFFAOYSA-N
MW359.39 g/mol
LogP2.66
Rot. Bonds5

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

N-(7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-phenylpropanamide (PubChem CID 661836) has the molecular formula C20H17N5O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is N-(7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-phenylpropanamide
PubChem CID661836
Molecular FormulaC20H17N5O2
Molecular Weight359.39 g/mol
Exact Mass359.14
IUPAC NameN-(7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1nc2nc(-c3ccccc3)cc(=O)n2[nH]1
InChIInChI=1S/C20H17N5O2/c26-17(12-11-14-7-3-1-4-8-14)22-19-23-20-21-16(13-18(27)25(20)24-19)15-9-5-2-6-10-15/h1-10,13H,11-12H2,(H2,21,22,23,24,26)
InChIKeyWDLUHGGPAIUCCK-UHFFFAOYSA-N
XLogP2.66
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-5-cyclopropyl-6-[(3-iodophenyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 155562719
2-{[4-(propan-2-yl)benzyl]amino}-3,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one
CID 2027973
2,5-diphenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 661929
2-phenethyl-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one
CID 935179
5,5-Diethyl-2-hydrazinyl-1,6-dihydrobenzo[h]quinazolin-4-one
CID 135496455
2-amino-5-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7(3H)-one
CID 681947
4-methyl-N-(7-oxo-5-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide
CID 929965
6-benzyl-5-methyl-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
CID 1264955
6-ethyl-2-(5-oxo-3-phenyl-2,5-dihydro-1H-pyrazol-1-yl)-4(3H)-pyrimidinone
CID 135439812
2-(5-benzyl-4-methyl-6-oxo-1,6-dihydro-2-pyrimidinyl)-1,2,4,5,6,7-hexahydro-3H-indazol-3-one
CID 135501733
2-amino-5-cyclopropyl-6-[(2-methylphenyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 155518928
2-amino-5-cyclopropyl-6-[(4-fluorophenyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 155520385

Frequently Asked Questions

What is the IUPAC name of N-(7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-phenylpropanamide?
The IUPAC name of N-(7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-phenylpropanamide (CID 661836) is N-(7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-phenylpropanamide.
What is the SMILES notation for N-(7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-phenylpropanamide?
The canonical SMILES for N-(7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-phenylpropanamide is O=C(CCc1ccccc1)Nc1nc2nc(-c3ccccc3)cc(=O)n2[nH]1.
What is the InChIKey of N-(7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-phenylpropanamide?
The InChIKey is WDLUHGGPAIUCCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2/c26-17(12-11-14-7-3-1-4-8-14)22-19-23-20-21-16(13-18(27)25(20)24-19)15-9-5-2-6-10-15/h1-10,13H,11-12H2,(H2,21,22,23,24,26).
What are the key properties of N-(7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-phenylpropanamide?
N-(7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-phenylpropanamide has a molecular weight of 359.39 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-phenylpropanamide is sourced from PubChem (CID 661836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).