2-(4-chlorophenyl)-5-methyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C18H18ClN5O2 — CID 50750595

IUPAC2-(4-chlorophenyl)-5-methyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(=O)n2nc(-c3ccc(Cl)cc3)nc2n1CC(=O)N1CCCC1
InChIInChI=1S/C18H18ClN5O2/c1-12-10-15(25)24-18(23(12)11-16(26)22-8-2-3-9-22)20-17(21-24)13-4-6-14(19)7-5-13/h4-7,10H,2-3,8-9,11H2,1H3
InChIKeyNEQUTNOXSVIRRW-UHFFFAOYSA-N
MW371.83 g/mol
LogP2.14
Rot. Bonds3

About 2-(4-chlorophenyl)-5-methyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

2-(4-chlorophenyl)-5-methyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 50750595) has the molecular formula C18H18ClN5O2 and a molecular weight of 371.83 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-methyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-methyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID50750595
Molecular FormulaC18H18ClN5O2
Molecular Weight371.83 g/mol
Exact Mass371.11
IUPAC Name2-(4-chlorophenyl)-5-methyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(=O)n2nc(-c3ccc(Cl)cc3)nc2n1CC(=O)N1CCCC1
InChIInChI=1S/C18H18ClN5O2/c1-12-10-15(25)24-18(23(12)11-16(26)22-8-2-3-9-22)20-17(21-24)13-4-6-14(19)7-5-13/h4-7,10H,2-3,8-9,11H2,1H3
InChIKeyNEQUTNOXSVIRRW-UHFFFAOYSA-N
XLogP2.14
TPSA72.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.83
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(4-chlorophenyl)-5-methyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-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 2-(4-chlorophenyl)-5-methyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-(4-chlorophenyl)-5-methyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 50750595) is 2-(4-chlorophenyl)-5-methyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-(4-chlorophenyl)-5-methyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-(4-chlorophenyl)-5-methyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is Cc1cc(=O)n2nc(-c3ccc(Cl)cc3)nc2n1CC(=O)N1CCCC1.
What is the InChIKey of 2-(4-chlorophenyl)-5-methyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is NEQUTNOXSVIRRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5O2/c1-12-10-15(25)24-18(23(12)11-16(26)22-8-2-3-9-22)20-17(21-24)13-4-6-14(19)7-5-13/h4-7,10H,2-3,8-9,11H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-5-methyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
2-(4-chlorophenyl)-5-methyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 371.83 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-methyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 50750595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).