N-(3,5-dimethoxyphenyl)-2-(4-oxo-2-phenyl-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl)acetamide

C21H19N5O4 — CID 56685675

IUPACN-(3,5-dimethoxyphenyl)-2-(4-oxo-2-phenyl-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl)acetamide
SMILESCOc1cc(NC(=O)Cc2n[nH]c(=O)c3cc(-c4ccccc4)nn23)cc(OC)c1
InChIInChI=1S/C21H19N5O4/c1-29-15-8-14(9-16(10-15)30-2)22-20(27)12-19-23-24-21(28)18-11-17(25-26(18)19)13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H,22,27)(H,24,28)
InChIKeyPIYRVYOMUIWLTB-UHFFFAOYSA-N
MW405.41 g/mol
LogP2.28
Rot. Bonds6

About N-(3,5-dimethoxyphenyl)-2-(4-oxo-2-phenyl-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl)acetamide

N-(3,5-dimethoxyphenyl)-2-(4-oxo-2-phenyl-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl)acetamide (PubChem CID 56685675) has the molecular formula C21H19N5O4 and a molecular weight of 405.41 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-2-(4-oxo-2-phenyl-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl)acetamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-2-(4-oxo-2-phenyl-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl)acetamide
PubChem CID56685675
Molecular FormulaC21H19N5O4
Molecular Weight405.41 g/mol
Exact Mass405.14
IUPAC NameN-(3,5-dimethoxyphenyl)-2-(4-oxo-2-phenyl-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl)acetamide
SMILESCOc1cc(NC(=O)Cc2n[nH]c(=O)c3cc(-c4ccccc4)nn23)cc(OC)c1
InChIInChI=1S/C21H19N5O4/c1-29-15-8-14(9-16(10-15)30-2)22-20(27)12-19-23-24-21(28)18-11-17(25-26(18)19)13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H,22,27)(H,24,28)
InChIKeyPIYRVYOMUIWLTB-UHFFFAOYSA-N
XLogP2.28
TPSA110.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.41
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3,5-dimethylphenyl)-2-(4-oxo-2-phenyl-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl)acetamide
CID 56685662
N-(4-methoxyphenyl)-2-(4-oxo-2-thiophen-2-yl-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl)acetamide
CID 56685832
N-(3,4-dimethoxyphenyl)-2-(4-oxo-2-thiophen-2-yl-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl)acetamide
CID 56685835
N-(3,5-dimethoxyphenyl)-2-(4-oxo-2-phenylpyrazolo[1,5-a]pyrazin-5-yl)acetamide
CID 16956857
N-(3-fluoro-4-methoxyphenyl)-2-(4-oxo-2-thiophen-2-yl-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl)acetamide
CID 56685863
N-cyclopentyl-2-[2-(4-fluorophenyl)-4-oxo-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl]acetamide
CID 56685778
2-[[2-(4-fluorophenyl)-4-oxo-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl]-N-phenylacetamide
CID 50771589
2-[[2-(3,4-dimethoxyphenyl)-4-oxo-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl]-N-phenylacetamide
CID 50771643
(2R)-N-(3,5-dimethoxyphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)butanamide
CID 28623281
N-(3,5-dimethoxyphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 16508187
N-(3,5-dimethoxyphenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide
CID 121052686
2-[[2-(4-fluorophenyl)-4-oxo-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl]-N-(4-methylphenyl)acetamide
CID 50771608

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-2-(4-oxo-2-phenyl-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl)acetamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-2-(4-oxo-2-phenyl-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl)acetamide (CID 56685675) is N-(3,5-dimethoxyphenyl)-2-(4-oxo-2-phenyl-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl)acetamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-2-(4-oxo-2-phenyl-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl)acetamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-2-(4-oxo-2-phenyl-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl)acetamide is COc1cc(NC(=O)Cc2n[nH]c(=O)c3cc(-c4ccccc4)nn23)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-2-(4-oxo-2-phenyl-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl)acetamide?
The InChIKey is PIYRVYOMUIWLTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O4/c1-29-15-8-14(9-16(10-15)30-2)22-20(27)12-19-23-24-21(28)18-11-17(25-26(18)19)13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H,22,27)(H,24,28).
What are the key properties of N-(3,5-dimethoxyphenyl)-2-(4-oxo-2-phenyl-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl)acetamide?
N-(3,5-dimethoxyphenyl)-2-(4-oxo-2-phenyl-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl)acetamide has a molecular weight of 405.41 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-2-(4-oxo-2-phenyl-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl)acetamide is sourced from PubChem (CID 56685675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).