1-(4-chloro-3-fluorophenyl)-4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)pyrrolidin-2-one

C16H15ClFN5O2 — CID 154858900

IUPAC1-(4-chloro-3-fluorophenyl)-4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)pyrrolidin-2-one
SMILESO=C(C1CC(=O)N(c2ccc(Cl)c(F)c2)C1)N1CCn2cnnc2C1
InChIInChI=1S/C16H15ClFN5O2/c17-12-2-1-11(6-13(12)18)23-7-10(5-15(23)24)16(25)21-3-4-22-9-19-20-14(22)8-21/h1-2,6,9-10H,3-5,7-8H2
InChIKeyXSNLQMVHNCWXFD-UHFFFAOYSA-N
MW363.78 g/mol
LogP1.47
Rot. Bonds2

About 1-(4-chloro-3-fluorophenyl)-4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)pyrrolidin-2-one

1-(4-chloro-3-fluorophenyl)-4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)pyrrolidin-2-one (PubChem CID 154858900) has the molecular formula C16H15ClFN5O2 and a molecular weight of 363.78 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenyl)-4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenyl)-4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)pyrrolidin-2-one
PubChem CID154858900
Molecular FormulaC16H15ClFN5O2
Molecular Weight363.78 g/mol
Exact Mass363.09
IUPAC Name1-(4-chloro-3-fluorophenyl)-4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)pyrrolidin-2-one
SMILESO=C(C1CC(=O)N(c2ccc(Cl)c(F)c2)C1)N1CCn2cnnc2C1
InChIInChI=1S/C16H15ClFN5O2/c17-12-2-1-11(6-13(12)18)23-7-10(5-15(23)24)16(25)21-3-4-22-9-19-20-14(22)8-21/h1-2,6,9-10H,3-5,7-8H2
InChIKeyXSNLQMVHNCWXFD-UHFFFAOYSA-N
XLogP1.47
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.78
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-[1-(4-chloro-3-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxylic acid
CID 120514003
1-[1-(3-chloro-4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 42655789
4-[1-(3,4-dichlorophenyl)-5-oxopyrrolidine-3-carbonyl]piperazine-1-carbaldehyde
CID 113190879
1-(3-chloro-4-fluorophenyl)-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 4278143
(3S)-1-(4-chloro-3-fluorophenyl)-N-methylsulfonyl-5-oxopyrrolidine-3-carboxamide
CID 124591586
N-(1-carbamoylcyclopropyl)-1-(4-chloro-3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 146124222
1-(4-chlorophenyl)-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 17082146
(3S)-1-(3-chloro-4-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 776720
(2S)-2-[[1-(4-chloro-3-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid
CID 120525907
1-(4-chlorophenyl)-4-(3,5-dimethylpiperidine-1-carbonyl)pyrrolidin-2-one
CID 17082169
1-(3-chloro-4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl chloride
CID 50873905
2-[[1-(4-chloro-3-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]-methylamino]propanoic acid
CID 120520365

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenyl)-4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-(4-chloro-3-fluorophenyl)-4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)pyrrolidin-2-one (CID 154858900) is 1-(4-chloro-3-fluorophenyl)-4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(4-chloro-3-fluorophenyl)-4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-(4-chloro-3-fluorophenyl)-4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)pyrrolidin-2-one is O=C(C1CC(=O)N(c2ccc(Cl)c(F)c2)C1)N1CCn2cnnc2C1.
What is the InChIKey of 1-(4-chloro-3-fluorophenyl)-4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)pyrrolidin-2-one?
The InChIKey is XSNLQMVHNCWXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFN5O2/c17-12-2-1-11(6-13(12)18)23-7-10(5-15(23)24)16(25)21-3-4-22-9-19-20-14(22)8-21/h1-2,6,9-10H,3-5,7-8H2.
What are the key properties of 1-(4-chloro-3-fluorophenyl)-4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)pyrrolidin-2-one?
1-(4-chloro-3-fluorophenyl)-4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)pyrrolidin-2-one has a molecular weight of 363.78 g/mol, XLogP of 1.47, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-fluorophenyl)-4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 154858900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).