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

C19H21N5O3 — CID 20953583

IUPAC2-(4-methoxyphenyl)-5-(2-oxo-2-piperidin-1-ylethyl)pyrazolo[1,5-d][1,2,4]triazin-4-one
SMILESCOc1ccc(-c2cc3c(=O)n(CC(=O)N4CCCCC4)ncn3n2)cc1
InChIInChI=1S/C19H21N5O3/c1-27-15-7-5-14(6-8-15)16-11-17-19(26)23(20-13-24(17)21-16)12-18(25)22-9-3-2-4-10-22/h5-8,11,13H,2-4,9-10,12H2,1H3
InChIKeyTVJQQLLOBNAYEV-UHFFFAOYSA-N
MW367.41 g/mol
LogP1.58
Rot. Bonds4

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

2-(4-methoxyphenyl)-5-(2-oxo-2-piperidin-1-ylethyl)pyrazolo[1,5-d][1,2,4]triazin-4-one (PubChem CID 20953583) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-5-(2-oxo-2-piperidin-1-ylethyl)pyrazolo[1,5-d][1,2,4]triazin-4-one.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-5-(2-oxo-2-piperidin-1-ylethyl)pyrazolo[1,5-d][1,2,4]triazin-4-one
PubChem CID20953583
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC Name2-(4-methoxyphenyl)-5-(2-oxo-2-piperidin-1-ylethyl)pyrazolo[1,5-d][1,2,4]triazin-4-one
SMILESCOc1ccc(-c2cc3c(=O)n(CC(=O)N4CCCCC4)ncn3n2)cc1
InChIInChI=1S/C19H21N5O3/c1-27-15-7-5-14(6-8-15)16-11-17-19(26)23(20-13-24(17)21-16)12-18(25)22-9-3-2-4-10-22/h5-8,11,13H,2-4,9-10,12H2,1H3
InChIKeyTVJQQLLOBNAYEV-UHFFFAOYSA-N
XLogP1.58
TPSA81.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 51.58
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-piperidin-1-ylethyl)pyrazolo[1,5-d][1,2,4]triazin-4-one?
The IUPAC name of 2-(4-methoxyphenyl)-5-(2-oxo-2-piperidin-1-ylethyl)pyrazolo[1,5-d][1,2,4]triazin-4-one (CID 20953583) is 2-(4-methoxyphenyl)-5-(2-oxo-2-piperidin-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-piperidin-1-ylethyl)pyrazolo[1,5-d][1,2,4]triazin-4-one?
The canonical SMILES for 2-(4-methoxyphenyl)-5-(2-oxo-2-piperidin-1-ylethyl)pyrazolo[1,5-d][1,2,4]triazin-4-one is COc1ccc(-c2cc3c(=O)n(CC(=O)N4CCCCC4)ncn3n2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-5-(2-oxo-2-piperidin-1-ylethyl)pyrazolo[1,5-d][1,2,4]triazin-4-one?
The InChIKey is TVJQQLLOBNAYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-27-15-7-5-14(6-8-15)16-11-17-19(26)23(20-13-24(17)21-16)12-18(25)22-9-3-2-4-10-22/h5-8,11,13H,2-4,9-10,12H2,1H3.
What are the key properties of 2-(4-methoxyphenyl)-5-(2-oxo-2-piperidin-1-ylethyl)pyrazolo[1,5-d][1,2,4]triazin-4-one?
2-(4-methoxyphenyl)-5-(2-oxo-2-piperidin-1-ylethyl)pyrazolo[1,5-d][1,2,4]triazin-4-one has a molecular weight of 367.41 g/mol, XLogP of 1.58, 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-piperidin-1-ylethyl)pyrazolo[1,5-d][1,2,4]triazin-4-one is sourced from PubChem (CID 20953583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).