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

C25H27N5O2 — CID 92902789

IUPAC2-(6-benzyl-5-methyl-7-oxo-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl)-N-[(2S)-butan-2-yl]acetamide
SMILESCC[C@H](C)NC(=O)Cn1c(C)c(Cc2ccccc2)c(=O)n2nc(-c3ccccc3)nc12
InChIInChI=1S/C25H27N5O2/c1-4-17(2)26-22(31)16-29-18(3)21(15-19-11-7-5-8-12-19)24(32)30-25(29)27-23(28-30)20-13-9-6-10-14-20/h5-14,17H,4,15-16H2,1-3H3,(H,26,31)/t17-/m0/s1
InChIKeyKOGUPZONGPWGLX-KRWDZBQOSA-N
MW429.52 g/mol
LogP3.37
Rot. Bonds7

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

2-(6-benzyl-5-methyl-7-oxo-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl)-N-[(2S)-butan-2-yl]acetamide (PubChem CID 92902789) has the molecular formula C25H27N5O2 and a molecular weight of 429.52 g/mol. Its IUPAC name is 2-(6-benzyl-5-methyl-7-oxo-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl)-N-[(2S)-butan-2-yl]acetamide.

Molecular Properties

Compound Name2-(6-benzyl-5-methyl-7-oxo-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl)-N-[(2S)-butan-2-yl]acetamide
PubChem CID92902789
Molecular FormulaC25H27N5O2
Molecular Weight429.52 g/mol
Exact Mass429.22
IUPAC Name2-(6-benzyl-5-methyl-7-oxo-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl)-N-[(2S)-butan-2-yl]acetamide
SMILESCC[C@H](C)NC(=O)Cn1c(C)c(Cc2ccccc2)c(=O)n2nc(-c3ccccc3)nc12
InChIInChI=1S/C25H27N5O2/c1-4-17(2)26-22(31)16-29-18(3)21(15-19-11-7-5-8-12-19)24(32)30-25(29)27-23(28-30)20-13-9-6-10-14-20/h5-14,17H,4,15-16H2,1-3H3,(H,26,31)/t17-/m0/s1
InChIKeyKOGUPZONGPWGLX-KRWDZBQOSA-N
XLogP3.37
TPSA81.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 53.37
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-[(2S)-butan-2-yl]acetamide
CID 95062302
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
N-[(2S)-butan-2-yl]-3-(5-methyl-7-oxo-2-phenyl-4-prop-2-enyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 92736795
2-(6-benzyl-5-methyl-7-oxo-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl)-N-(2,5-difluorophenyl)acetamide
CID 50753878
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
N-[(2R)-butan-2-yl]-2-[11-(4-methylphenyl)-2-oxo-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-trien-8-yl]acetamide
CID 92902798
6-benzyl-5-methyl-2-(4-methylphenyl)-4-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 92902790
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
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
3-(4-benzyl-5-methyl-7-oxo-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-phenylpropanamide
CID 50753046
2-(2-oxo-11-phenyl-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-trien-8-yl)-N-propan-2-ylacetamide
CID 50753879
2-(4-benzyl-5-methyl-7-oxo-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-cyclopropylacetamide
CID 53048673

Frequently Asked Questions

What is the IUPAC name of 2-(6-benzyl-5-methyl-7-oxo-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl)-N-[(2S)-butan-2-yl]acetamide?
The IUPAC name of 2-(6-benzyl-5-methyl-7-oxo-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl)-N-[(2S)-butan-2-yl]acetamide (CID 92902789) is 2-(6-benzyl-5-methyl-7-oxo-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl)-N-[(2S)-butan-2-yl]acetamide.
What is the SMILES notation for 2-(6-benzyl-5-methyl-7-oxo-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl)-N-[(2S)-butan-2-yl]acetamide?
The canonical SMILES for 2-(6-benzyl-5-methyl-7-oxo-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl)-N-[(2S)-butan-2-yl]acetamide is CC[C@H](C)NC(=O)Cn1c(C)c(Cc2ccccc2)c(=O)n2nc(-c3ccccc3)nc12.
What is the InChIKey of 2-(6-benzyl-5-methyl-7-oxo-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl)-N-[(2S)-butan-2-yl]acetamide?
The InChIKey is KOGUPZONGPWGLX-KRWDZBQOSA-N. The full InChI is InChI=1S/C25H27N5O2/c1-4-17(2)26-22(31)16-29-18(3)21(15-19-11-7-5-8-12-19)24(32)30-25(29)27-23(28-30)20-13-9-6-10-14-20/h5-14,17H,4,15-16H2,1-3H3,(H,26,31)/t17-/m0/s1.
What are the key properties of 2-(6-benzyl-5-methyl-7-oxo-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl)-N-[(2S)-butan-2-yl]acetamide?
2-(6-benzyl-5-methyl-7-oxo-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl)-N-[(2S)-butan-2-yl]acetamide has a molecular weight of 429.52 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-benzyl-5-methyl-7-oxo-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl)-N-[(2S)-butan-2-yl]acetamide is sourced from PubChem (CID 92902789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).