2-(4-methoxyphenyl)-5-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazolo[1,5-d][1,2,4]triazin-4-one

C18H19N5O3 — CID 20953568

IUPAC2-(4-methoxyphenyl)-5-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazolo[1,5-d][1,2,4]triazin-4-one
SMILESCOc1ccc(-c2cc3c(=O)n(CC(=O)N4CCCC4)ncn3n2)cc1
InChIInChI=1S/C18H19N5O3/c1-26-14-6-4-13(5-7-14)15-10-16-18(25)22(19-12-23(16)20-15)11-17(24)21-8-2-3-9-21/h4-7,10,12H,2-3,8-9,11H2,1H3
InChIKeyKJSBVDHTGSVCFB-UHFFFAOYSA-N
MW353.38 g/mol
LogP1.19
Rot. Bonds4

About 2-(4-methoxyphenyl)-5-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazolo[1,5-d][1,2,4]triazin-4-one

2-(4-methoxyphenyl)-5-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazolo[1,5-d][1,2,4]triazin-4-one (PubChem CID 20953568) has the molecular formula C18H19N5O3 and a molecular weight of 353.38 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-5-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazolo[1,5-d][1,2,4]triazin-4-one.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-5-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazolo[1,5-d][1,2,4]triazin-4-one
PubChem CID20953568
Molecular FormulaC18H19N5O3
Molecular Weight353.38 g/mol
Exact Mass353.15
IUPAC Name2-(4-methoxyphenyl)-5-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazolo[1,5-d][1,2,4]triazin-4-one
SMILESCOc1ccc(-c2cc3c(=O)n(CC(=O)N4CCCC4)ncn3n2)cc1
InChIInChI=1S/C18H19N5O3/c1-26-14-6-4-13(5-7-14)15-10-16-18(25)22(19-12-23(16)20-15)11-17(24)21-8-2-3-9-21/h4-7,10,12H,2-3,8-9,11H2,1H3
InChIKeyKJSBVDHTGSVCFB-UHFFFAOYSA-N
XLogP1.19
TPSA81.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-5-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazolo[1,5-d][1,2,4]triazin-4-one?
The IUPAC name of 2-(4-methoxyphenyl)-5-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazolo[1,5-d][1,2,4]triazin-4-one (CID 20953568) is 2-(4-methoxyphenyl)-5-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazolo[1,5-d][1,2,4]triazin-4-one.
What is the SMILES notation for 2-(4-methoxyphenyl)-5-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazolo[1,5-d][1,2,4]triazin-4-one?
The canonical SMILES for 2-(4-methoxyphenyl)-5-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazolo[1,5-d][1,2,4]triazin-4-one is COc1ccc(-c2cc3c(=O)n(CC(=O)N4CCCC4)ncn3n2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-5-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazolo[1,5-d][1,2,4]triazin-4-one?
The InChIKey is KJSBVDHTGSVCFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3/c1-26-14-6-4-13(5-7-14)15-10-16-18(25)22(19-12-23(16)20-15)11-17(24)21-8-2-3-9-21/h4-7,10,12H,2-3,8-9,11H2,1H3.
What are the key properties of 2-(4-methoxyphenyl)-5-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazolo[1,5-d][1,2,4]triazin-4-one?
2-(4-methoxyphenyl)-5-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazolo[1,5-d][1,2,4]triazin-4-one has a molecular weight of 353.38 g/mol, XLogP of 1.19, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-5-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazolo[1,5-d][1,2,4]triazin-4-one is sourced from PubChem (CID 20953568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).