5-methyl-1-phenyl-3-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)pyrrolidin-2-one

C16H16N6O — CID 84585138

IUPAC5-methyl-1-phenyl-3-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)pyrrolidin-2-one
SMILESCC1CC(Nc2nccn3cnnc23)C(=O)N1c1ccccc1
InChIInChI=1S/C16H16N6O/c1-11-9-13(16(23)22(11)12-5-3-2-4-6-12)19-14-15-20-18-10-21(15)8-7-17-14/h2-8,10-11,13H,9H2,1H3,(H,17,19)
InChIKeyGXWHJDXTVSUXNJ-UHFFFAOYSA-N
MW308.35 g/mol
LogP1.73
Rot. Bonds3

About 5-methyl-1-phenyl-3-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)pyrrolidin-2-one

5-methyl-1-phenyl-3-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)pyrrolidin-2-one (PubChem CID 84585138) has the molecular formula C16H16N6O and a molecular weight of 308.35 g/mol. Its IUPAC name is 5-methyl-1-phenyl-3-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)pyrrolidin-2-one.

Molecular Properties

Compound Name5-methyl-1-phenyl-3-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)pyrrolidin-2-one
PubChem CID84585138
Molecular FormulaC16H16N6O
Molecular Weight308.35 g/mol
Exact Mass308.14
IUPAC Name5-methyl-1-phenyl-3-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)pyrrolidin-2-one
SMILESCC1CC(Nc2nccn3cnnc23)C(=O)N1c1ccccc1
InChIInChI=1S/C16H16N6O/c1-11-9-13(16(23)22(11)12-5-3-2-4-6-12)19-14-15-20-18-10-21(15)8-7-17-14/h2-8,10-11,13H,9H2,1H3,(H,17,19)
InChIKeyGXWHJDXTVSUXNJ-UHFFFAOYSA-N
XLogP1.73
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-phenyl-3-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)pyrrolidin-2-one?
The IUPAC name of 5-methyl-1-phenyl-3-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)pyrrolidin-2-one (CID 84585138) is 5-methyl-1-phenyl-3-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)pyrrolidin-2-one.
What is the SMILES notation for 5-methyl-1-phenyl-3-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)pyrrolidin-2-one?
The canonical SMILES for 5-methyl-1-phenyl-3-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)pyrrolidin-2-one is CC1CC(Nc2nccn3cnnc23)C(=O)N1c1ccccc1.
What is the InChIKey of 5-methyl-1-phenyl-3-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)pyrrolidin-2-one?
The InChIKey is GXWHJDXTVSUXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O/c1-11-9-13(16(23)22(11)12-5-3-2-4-6-12)19-14-15-20-18-10-21(15)8-7-17-14/h2-8,10-11,13H,9H2,1H3,(H,17,19).
What are the key properties of 5-methyl-1-phenyl-3-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)pyrrolidin-2-one?
5-methyl-1-phenyl-3-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)pyrrolidin-2-one has a molecular weight of 308.35 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-phenyl-3-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)pyrrolidin-2-one is sourced from PubChem (CID 84585138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).