5-tert-butyl-2-(2-oxo-2-piperidin-1-ylethyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-one

C20H25N5O2 — CID 16675961

IUPAC5-tert-butyl-2-(2-oxo-2-piperidin-1-ylethyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-one
SMILESCC(C)(C)c1nc2ccccc2c2nn(CC(=O)N3CCCCC3)c(=O)n12
InChIInChI=1S/C20H25N5O2/c1-20(2,3)18-21-15-10-6-5-9-14(15)17-22-24(19(27)25(17)18)13-16(26)23-11-7-4-8-12-23/h5-6,9-10H,4,7-8,11-13H2,1-3H3
InChIKeyZUEKJDHRRSYVSG-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.35
Rot. Bonds2

About 5-tert-butyl-2-(2-oxo-2-piperidin-1-ylethyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-one

5-tert-butyl-2-(2-oxo-2-piperidin-1-ylethyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-one (PubChem CID 16675961) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 5-tert-butyl-2-(2-oxo-2-piperidin-1-ylethyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-one.

Molecular Properties

Compound Name5-tert-butyl-2-(2-oxo-2-piperidin-1-ylethyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-one
PubChem CID16675961
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name5-tert-butyl-2-(2-oxo-2-piperidin-1-ylethyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-one
SMILESCC(C)(C)c1nc2ccccc2c2nn(CC(=O)N3CCCCC3)c(=O)n12
InChIInChI=1S/C20H25N5O2/c1-20(2,3)18-21-15-10-6-5-9-14(15)17-22-24(19(27)25(17)18)13-16(26)23-11-7-4-8-12-23/h5-6,9-10H,4,7-8,11-13H2,1-3H3
InChIKeyZUEKJDHRRSYVSG-UHFFFAOYSA-N
XLogP2.35
TPSA72.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-tert-butyl-2-(2-oxo-2-piperidin-1-ylethyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-(2-oxo-2-piperidin-1-ylethyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-one?
The IUPAC name of 5-tert-butyl-2-(2-oxo-2-piperidin-1-ylethyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-one (CID 16675961) is 5-tert-butyl-2-(2-oxo-2-piperidin-1-ylethyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-one.
What is the SMILES notation for 5-tert-butyl-2-(2-oxo-2-piperidin-1-ylethyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-one?
The canonical SMILES for 5-tert-butyl-2-(2-oxo-2-piperidin-1-ylethyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-one is CC(C)(C)c1nc2ccccc2c2nn(CC(=O)N3CCCCC3)c(=O)n12.
What is the InChIKey of 5-tert-butyl-2-(2-oxo-2-piperidin-1-ylethyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-one?
The InChIKey is ZUEKJDHRRSYVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-20(2,3)18-21-15-10-6-5-9-14(15)17-22-24(19(27)25(17)18)13-16(26)23-11-7-4-8-12-23/h5-6,9-10H,4,7-8,11-13H2,1-3H3.
What are the key properties of 5-tert-butyl-2-(2-oxo-2-piperidin-1-ylethyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-one?
5-tert-butyl-2-(2-oxo-2-piperidin-1-ylethyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-one has a molecular weight of 367.45 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-(2-oxo-2-piperidin-1-ylethyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-one is sourced from PubChem (CID 16675961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).