2-(2-chlorophenyl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)-5-phenyl-1,2,4-triazol-3-one

C20H19ClN4O2 — CID 70708002

IUPAC2-(2-chlorophenyl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)-5-phenyl-1,2,4-triazol-3-one
SMILESO=C(Cn1c(-c2ccccc2)nn(-c2ccccc2Cl)c1=O)N1CCCC1
InChIInChI=1S/C20H19ClN4O2/c21-16-10-4-5-11-17(16)25-20(27)24(14-18(26)23-12-6-7-13-23)19(22-25)15-8-2-1-3-9-15/h1-5,8-11H,6-7,12-14H2
InChIKeyYDXNJWCSVCSASX-UHFFFAOYSA-N
MW382.85 g/mol
LogP2.98
Rot. Bonds4

About 2-(2-chlorophenyl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)-5-phenyl-1,2,4-triazol-3-one

2-(2-chlorophenyl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)-5-phenyl-1,2,4-triazol-3-one (PubChem CID 70708002) has the molecular formula C20H19ClN4O2 and a molecular weight of 382.85 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)-5-phenyl-1,2,4-triazol-3-one.

Molecular Properties

Compound Name2-(2-chlorophenyl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)-5-phenyl-1,2,4-triazol-3-one
PubChem CID70708002
Molecular FormulaC20H19ClN4O2
Molecular Weight382.85 g/mol
Exact Mass382.12
IUPAC Name2-(2-chlorophenyl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)-5-phenyl-1,2,4-triazol-3-one
SMILESO=C(Cn1c(-c2ccccc2)nn(-c2ccccc2Cl)c1=O)N1CCCC1
InChIInChI=1S/C20H19ClN4O2/c21-16-10-4-5-11-17(16)25-20(27)24(14-18(26)23-12-6-7-13-23)19(22-25)15-8-2-1-3-9-15/h1-5,8-11H,6-7,12-14H2
InChIKeyYDXNJWCSVCSASX-UHFFFAOYSA-N
XLogP2.98
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.85
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(2-chlorophenyl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)-5-phenyl-1,2,4-triazol-3-one with MolForge

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Related Compounds

2-[[2-[1-(2-chlorophenyl)-5-oxo-3-phenyl-1,2,4-triazol-4-yl]acetyl]amino]acetamide
CID 70716185
(2S)-2-[[2-[1-(2-chlorophenyl)-5-oxo-3-phenyl-1,2,4-triazol-4-yl]acetyl]amino]propanamide
CID 70754319
1-[2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]acetyl]piperidine-3-carboxamide
CID 43058544
2-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-6-phenylpyridazin-3-one
CID 121050134
1-(2-chlorophenyl)-4-(3-fluorophenyl)-8-(2-oxo-2-pyrrolidin-1-ylethyl)-3-phenyl-4H-pyrazolo[5,4-e][1,4]thiazepin-7-one
CID 42813796
5-[2-(azepan-1-yl)-2-oxoethyl]-1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 1433777
1-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-methylbenzimidazol-2-one
CID 26014846
4-ethyl-2-(2-methylphenyl)-5-phenyl-1,2,4-triazol-3-one
CID 70155466
1-(2-chlorophenyl)-4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]tetrazol-5-one
CID 24578921
2-(2-oxo-2-pyrrolidin-1-ylethyl)-6-phenylpyridazin-3-one
CID 7659647
4-methyl-7-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-diphenylpyrazolo[5,4-b]pyridin-6-one
CID 22575737
2-[2-(azepan-1-yl)-2-oxoethyl]-6-phenylpyridazin-3-one
CID 7659649

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)-5-phenyl-1,2,4-triazol-3-one?
The IUPAC name of 2-(2-chlorophenyl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)-5-phenyl-1,2,4-triazol-3-one (CID 70708002) is 2-(2-chlorophenyl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)-5-phenyl-1,2,4-triazol-3-one.
What is the SMILES notation for 2-(2-chlorophenyl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)-5-phenyl-1,2,4-triazol-3-one?
The canonical SMILES for 2-(2-chlorophenyl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)-5-phenyl-1,2,4-triazol-3-one is O=C(Cn1c(-c2ccccc2)nn(-c2ccccc2Cl)c1=O)N1CCCC1.
What is the InChIKey of 2-(2-chlorophenyl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)-5-phenyl-1,2,4-triazol-3-one?
The InChIKey is YDXNJWCSVCSASX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O2/c21-16-10-4-5-11-17(16)25-20(27)24(14-18(26)23-12-6-7-13-23)19(22-25)15-8-2-1-3-9-15/h1-5,8-11H,6-7,12-14H2.
What are the key properties of 2-(2-chlorophenyl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)-5-phenyl-1,2,4-triazol-3-one?
2-(2-chlorophenyl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)-5-phenyl-1,2,4-triazol-3-one has a molecular weight of 382.85 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)-5-phenyl-1,2,4-triazol-3-one is sourced from PubChem (CID 70708002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).