2-(4-benzyl-5-methyl-7-oxo-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-cyclopropylacetamide

C24H23N5O2 — CID 53048673

IUPAC2-(4-benzyl-5-methyl-7-oxo-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-cyclopropylacetamide
SMILESCc1c(CC(=O)NC2CC2)c(=O)n2nc(-c3ccccc3)nc2n1Cc1ccccc1
InChIInChI=1S/C24H23N5O2/c1-16-20(14-21(30)25-19-12-13-19)23(31)29-24(28(16)15-17-8-4-2-5-9-17)26-22(27-29)18-10-6-3-7-11-18/h2-11,19H,12-15H2,1H3,(H,25,30)
InChIKeyRDOLUVPJHKRAAY-UHFFFAOYSA-N
MW413.48 g/mol
LogP2.74
Rot. Bonds6

About 2-(4-benzyl-5-methyl-7-oxo-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-cyclopropylacetamide

2-(4-benzyl-5-methyl-7-oxo-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-cyclopropylacetamide (PubChem CID 53048673) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is 2-(4-benzyl-5-methyl-7-oxo-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-(4-benzyl-5-methyl-7-oxo-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-cyclopropylacetamide
PubChem CID53048673
Molecular FormulaC24H23N5O2
Molecular Weight413.48 g/mol
Exact Mass413.19
IUPAC Name2-(4-benzyl-5-methyl-7-oxo-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-cyclopropylacetamide
SMILESCc1c(CC(=O)NC2CC2)c(=O)n2nc(-c3ccccc3)nc2n1Cc1ccccc1
InChIInChI=1S/C24H23N5O2/c1-16-20(14-21(30)25-19-12-13-19)23(31)29-24(28(16)15-17-8-4-2-5-9-17)26-22(27-29)18-10-6-3-7-11-18/h2-11,19H,12-15H2,1H3,(H,25,30)
InChIKeyRDOLUVPJHKRAAY-UHFFFAOYSA-N
XLogP2.74
TPSA81.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-benzyl-5-methyl-7-oxo-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(2-methylphenyl)methyl]acetamide
CID 53048665
2-(4-benzyl-5-methyl-7-oxo-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(2S)-butan-2-yl]acetamide
CID 95062302
2-(4-benzyl-5-methyl-7-oxo-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(4-methoxyphenyl)acetamide
CID 53048657
2-(4-benzyl-5-methyl-7-oxo-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(3,4-difluorophenyl)acetamide
CID 53048677
3-(4-benzyl-5-methyl-7-oxo-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-phenylpropanamide
CID 50753046
N-(1H-benzimidazol-2-yl)-2-(4-benzyl-5-methyl-7-oxo-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide
CID 53048686
2-(5-methyl-7-oxo-2-phenyl-4-prop-2-enyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 95062292
2-(4,5-dimethyl-7-oxo-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(2-methylphenyl)acetamide
CID 53048564
2-[5-methyl-2-(4-methylphenyl)-7-oxo-4-prop-2-enyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(4-phenylbutan-2-yl)acetamide
CID 53048732
2-[5-methyl-2-(4-methylphenyl)-7-oxo-4-prop-2-enyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 95062305
N-(3-chloro-4-methylphenyl)-2-(5-methyl-7-oxo-2-phenyl-4-prop-2-enyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide
CID 53048606
2-(6-benzyl-5-methyl-7-oxo-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl)-N-(3-methoxypropyl)acetamide
CID 50754044

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzyl-5-methyl-7-oxo-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-cyclopropylacetamide?
The IUPAC name of 2-(4-benzyl-5-methyl-7-oxo-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-cyclopropylacetamide (CID 53048673) is 2-(4-benzyl-5-methyl-7-oxo-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-cyclopropylacetamide.
What is the SMILES notation for 2-(4-benzyl-5-methyl-7-oxo-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-cyclopropylacetamide?
The canonical SMILES for 2-(4-benzyl-5-methyl-7-oxo-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-cyclopropylacetamide is Cc1c(CC(=O)NC2CC2)c(=O)n2nc(-c3ccccc3)nc2n1Cc1ccccc1.
What is the InChIKey of 2-(4-benzyl-5-methyl-7-oxo-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-cyclopropylacetamide?
The InChIKey is RDOLUVPJHKRAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2/c1-16-20(14-21(30)25-19-12-13-19)23(31)29-24(28(16)15-17-8-4-2-5-9-17)26-22(27-29)18-10-6-3-7-11-18/h2-11,19H,12-15H2,1H3,(H,25,30).
What are the key properties of 2-(4-benzyl-5-methyl-7-oxo-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-cyclopropylacetamide?
2-(4-benzyl-5-methyl-7-oxo-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-cyclopropylacetamide has a molecular weight of 413.48 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzyl-5-methyl-7-oxo-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-cyclopropylacetamide is sourced from PubChem (CID 53048673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).