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

C20H16ClN5O2 — CID 135472131

IUPACN-(2-benzyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2-(4-chlorophenyl)acetamide
SMILESO=C(Cc1ccc(Cl)cc1)Nc1cc(=O)[nH]c2nc(Cc3ccccc3)nn12
InChIInChI=1S/C20H16ClN5O2/c21-15-8-6-14(7-9-15)11-18(27)23-17-12-19(28)24-20-22-16(25-26(17)20)10-13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H,23,27)(H,22,24,25,28)
InChIKeyMYQXFYFQMNHKRU-UHFFFAOYSA-N
MW393.83 g/mol
LogP2.84
Rot. Bonds5

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

N-(2-benzyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2-(4-chlorophenyl)acetamide (PubChem CID 135472131) has the molecular formula C20H16ClN5O2 and a molecular weight of 393.83 g/mol. Its IUPAC name is N-(2-benzyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2-(4-chlorophenyl)acetamide.

Molecular Properties

Compound NameN-(2-benzyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2-(4-chlorophenyl)acetamide
PubChem CID135472131
Molecular FormulaC20H16ClN5O2
Molecular Weight393.83 g/mol
Exact Mass393.10
IUPAC NameN-(2-benzyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2-(4-chlorophenyl)acetamide
SMILESO=C(Cc1ccc(Cl)cc1)Nc1cc(=O)[nH]c2nc(Cc3ccccc3)nn12
InChIInChI=1S/C20H16ClN5O2/c21-15-8-6-14(7-9-15)11-18(27)23-17-12-19(28)24-20-22-16(25-26(17)20)10-13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H,23,27)(H,22,24,25,28)
InChIKeyMYQXFYFQMNHKRU-UHFFFAOYSA-N
XLogP2.84
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.83
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-benzyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyridine-4-carboxamide
CID 135472235
4-chloro-N-[5-oxo-2-(phenoxymethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]benzamide
CID 135472180
N-[2-(4-chlorophenyl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]benzamide
CID 135400147
N-(5-oxo-2-propyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)propanamide
CID 135520836
N-(2-butyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide
CID 135400104
(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
N-[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]-2-phenylacetamide
CID 3013306
4-tert-butyl-N-(5-oxo-2-propyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide
CID 135520813
2-(5-benzyl-1H-1,2,4-triazol-3-yl)-N-(4-chlorophenyl)acetamide
CID 53168881
2-(4-chlorophenyl)-N-[4-(3-phenylpropoxy)phenyl]acetamide
CID 17130169
4-tert-butyl-N-(5-oxo-2-phenyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide
CID 135456277
N-[4-(4-chloroanilino)phenyl]-2-phenylacetamide
CID 112987026

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-(4-chlorophenyl)acetamide?
The IUPAC name of N-(2-benzyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2-(4-chlorophenyl)acetamide (CID 135472131) is N-(2-benzyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2-(4-chlorophenyl)acetamide.
What is the SMILES notation for N-(2-benzyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2-(4-chlorophenyl)acetamide?
The canonical SMILES for N-(2-benzyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2-(4-chlorophenyl)acetamide is O=C(Cc1ccc(Cl)cc1)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-(4-chlorophenyl)acetamide?
The InChIKey is MYQXFYFQMNHKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN5O2/c21-15-8-6-14(7-9-15)11-18(27)23-17-12-19(28)24-20-22-16(25-26(17)20)10-13-4-2-1-3-5-13/h1-9,12H,10-11H2,(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)-2-(4-chlorophenyl)acetamide?
N-(2-benzyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2-(4-chlorophenyl)acetamide has a molecular weight of 393.83 g/mol, XLogP of 2.84, 5 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)-2-(4-chlorophenyl)acetamide is sourced from PubChem (CID 135472131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).