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

C19H15N5O2 — CID 929965

IUPAC4-methyl-N-(7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide
SMILESCc1ccc(C(=O)Nc2nc3nc(-c4ccccc4)cc(=O)n3[nH]2)cc1
InChIInChI=1S/C19H15N5O2/c1-12-7-9-14(10-8-12)17(26)21-18-22-19-20-15(11-16(25)24(19)23-18)13-5-3-2-4-6-13/h2-11H,1H3,(H2,20,21,22,23,26)
InChIKeyHMYDBUSJIVTQGO-UHFFFAOYSA-N
MW345.36 g/mol
LogP2.65
Rot. Bonds3

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

4-methyl-N-(7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide (PubChem CID 929965) has the molecular formula C19H15N5O2 and a molecular weight of 345.36 g/mol. Its IUPAC name is 4-methyl-N-(7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide.

Molecular Properties

Compound Name4-methyl-N-(7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide
PubChem CID929965
Molecular FormulaC19H15N5O2
Molecular Weight345.36 g/mol
Exact Mass345.12
IUPAC Name4-methyl-N-(7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide
SMILESCc1ccc(C(=O)Nc2nc3nc(-c4ccccc4)cc(=O)n3[nH]2)cc1
InChIInChI=1S/C19H15N5O2/c1-12-7-9-14(10-8-12)17(26)21-18-22-19-20-15(11-16(25)24(19)23-18)13-5-3-2-4-6-13/h2-11H,1H3,(H2,20,21,22,23,26)
InChIKeyHMYDBUSJIVTQGO-UHFFFAOYSA-N
XLogP2.65
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(7-hydroxy-5-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-phenylpropanamide
CID 661836
6-benzyl-5-methyl-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
CID 1264955
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
N-{7-Hydroxy-5-phenyl-[1,2,4]triazolo[1,5-A]pyrimidin-2-YL}-2-methylbenzamide
CID 16013914
N-(7-Hydroxy-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-propionamide
CID 614817
4-tert-butyl-N-(6-chloro-7-hydroxy-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide
CID 6485805
6-Benzyl-2-{[(4-ethylphenyl)methyl]amino}-5-methyl-4H,7H-[1,2,4]triazolo[1,5-A]pyrimidin-7-one
CID 4439670
3-chloro-N-(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide
CID 6459798
N-(6-benzyl-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-tert-butylbenzamide
CID 7342963
N-(7-hydroxy-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-methylbenzamide
CID 930029
N-(7-hydroxy-5-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)butanamide
CID 930503
4-fluoro-N-(7-hydroxy-5-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide
CID 930555

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide?
The IUPAC name of 4-methyl-N-(7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide (CID 929965) is 4-methyl-N-(7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide.
What is the SMILES notation for 4-methyl-N-(7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide?
The canonical SMILES for 4-methyl-N-(7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide is Cc1ccc(C(=O)Nc2nc3nc(-c4ccccc4)cc(=O)n3[nH]2)cc1.
What is the InChIKey of 4-methyl-N-(7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide?
The InChIKey is HMYDBUSJIVTQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O2/c1-12-7-9-14(10-8-12)17(26)21-18-22-19-20-15(11-16(25)24(19)23-18)13-5-3-2-4-6-13/h2-11H,1H3,(H2,20,21,22,23,26).
What are the key properties of 4-methyl-N-(7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide?
4-methyl-N-(7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide has a molecular weight of 345.36 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide is sourced from PubChem (CID 929965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).