N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide

C19H18N8O2 — CID 38934627

IUPACN-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
SMILESCc1cc(C)nc(-n2nc(C)cc2NC(=O)Cn2nnc3ccccc3c2=O)n1
InChIInChI=1S/C19H18N8O2/c1-11-8-12(2)21-19(20-11)27-16(9-13(3)24-27)22-17(28)10-26-18(29)14-6-4-5-7-15(14)23-25-26/h4-9H,10H2,1-3H3,(H,22,28)
InChIKeyZOPUNZNZKAAVBX-UHFFFAOYSA-N
MW390.41 g/mol
LogP1.33
Rot. Bonds4

About N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide

N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide (PubChem CID 38934627) has the molecular formula C19H18N8O2 and a molecular weight of 390.41 g/mol. Its IUPAC name is N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
PubChem CID38934627
Molecular FormulaC19H18N8O2
Molecular Weight390.41 g/mol
Exact Mass390.16
IUPAC NameN-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
SMILESCc1cc(C)nc(-n2nc(C)cc2NC(=O)Cn2nnc3ccccc3c2=O)n1
InChIInChI=1S/C19H18N8O2/c1-11-8-12(2)21-19(20-11)27-16(9-13(3)24-27)22-17(28)10-26-18(29)14-6-4-5-7-15(14)23-25-26/h4-9H,10H2,1-3H3,(H,22,28)
InChIKeyZOPUNZNZKAAVBX-UHFFFAOYSA-N
XLogP1.33
TPSA120.48 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.41
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2-(benzotriazol-1-yl)-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]acetamide
CID 51288230
N-(2,6-dichlorophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 2714538
N-hydroxy-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 99984183
2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-pyridin-2-ylacetamide
CID 4904114
N-(3-chloro-4-methylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 2550571
N-ethyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 2714444
N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-3,3-diphenylpropanamide
CID 2359697
N-(3,5-difluorophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 27055170
2-(benzotriazol-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 47131251
2-(benzotriazol-1-yl)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]acetamide
CID 35593189
N-(5-acetamido-2-methylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 55691997
N-(4-tert-butylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 7919313

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide?
The IUPAC name of N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide (CID 38934627) is N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide.
What is the SMILES notation for N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide?
The canonical SMILES for N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide is Cc1cc(C)nc(-n2nc(C)cc2NC(=O)Cn2nnc3ccccc3c2=O)n1.
What is the InChIKey of N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide?
The InChIKey is ZOPUNZNZKAAVBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N8O2/c1-11-8-12(2)21-19(20-11)27-16(9-13(3)24-27)22-17(28)10-26-18(29)14-6-4-5-7-15(14)23-25-26/h4-9H,10H2,1-3H3,(H,22,28).
What are the key properties of N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide?
N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide has a molecular weight of 390.41 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide is sourced from PubChem (CID 38934627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).