N-(3-methoxypropyl)-2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide

C18H21N5O3 — CID 20953643

IUPACN-(3-methoxypropyl)-2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide
SMILESCOCCCNC(=O)Cn1nc(C)n2nc(-c3ccccc3)cc2c1=O
InChIInChI=1S/C18H21N5O3/c1-13-20-22(12-17(24)19-9-6-10-26-2)18(25)16-11-15(21-23(13)16)14-7-4-3-5-8-14/h3-5,7-8,11H,6,9-10,12H2,1-2H3,(H,19,24)
InChIKeyJBJXJOCNUIWWID-UHFFFAOYSA-N
MW355.40 g/mol
LogP1.02
Rot. Bonds7

About N-(3-methoxypropyl)-2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide

N-(3-methoxypropyl)-2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide (PubChem CID 20953643) has the molecular formula C18H21N5O3 and a molecular weight of 355.40 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide
PubChem CID20953643
Molecular FormulaC18H21N5O3
Molecular Weight355.40 g/mol
Exact Mass355.16
IUPAC NameN-(3-methoxypropyl)-2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide
SMILESCOCCCNC(=O)Cn1nc(C)n2nc(-c3ccccc3)cc2c1=O
InChIInChI=1S/C18H21N5O3/c1-13-20-22(12-17(24)19-9-6-10-26-2)18(25)16-11-15(21-23(13)16)14-7-4-3-5-8-14/h3-5,7-8,11H,6,9-10,12H2,1-2H3,(H,19,24)
InChIKeyJBJXJOCNUIWWID-UHFFFAOYSA-N
XLogP1.02
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-propylacetamide
CID 20953619
2-[2-(4-methoxyphenyl)-7-methyl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(3-phenylpropyl)acetamide
CID 20953720
2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-(2-phenylpropyl)acetamide
CID 20953634
N-[2-(4-chlorophenyl)ethyl]-2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide
CID 20953605
N-[2-(cyclohexen-1-yl)ethyl]-2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide
CID 20953640
N-[(2-ethoxyphenyl)methyl]-2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide
CID 20953660
N-cycloheptyl-2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide
CID 20953606
N-[2-(2,4-dimethoxyphenyl)ethyl]-2-[2-(4-methoxyphenyl)-7-methyl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 46271402
N-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)-7-methyl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 20953754
N-(3-methoxypropyl)-2-(7-methyl-4-oxo-2-phenyl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide
CID 71840046
N-[2-(4-ethoxyphenyl)ethyl]-2-[2-(4-ethylphenyl)-7-methyl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 20953669
2-[2-(4-ethylphenyl)-7-methyl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 22513326

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide?
The IUPAC name of N-(3-methoxypropyl)-2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide (CID 20953643) is N-(3-methoxypropyl)-2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide?
The canonical SMILES for N-(3-methoxypropyl)-2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide is COCCCNC(=O)Cn1nc(C)n2nc(-c3ccccc3)cc2c1=O.
What is the InChIKey of N-(3-methoxypropyl)-2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide?
The InChIKey is JBJXJOCNUIWWID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3/c1-13-20-22(12-17(24)19-9-6-10-26-2)18(25)16-11-15(21-23(13)16)14-7-4-3-5-8-14/h3-5,7-8,11H,6,9-10,12H2,1-2H3,(H,19,24).
What are the key properties of N-(3-methoxypropyl)-2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide?
N-(3-methoxypropyl)-2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide has a molecular weight of 355.40 g/mol, XLogP of 1.02, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide is sourced from PubChem (CID 20953643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).