1-(3-chlorophenyl)-3-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pyrrolidin-2-one

C17H17ClN6O — CID 133338490

IUPAC1-(3-chlorophenyl)-3-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pyrrolidin-2-one
SMILESCCc1cc(NC2CCN(c3cccc(Cl)c3)C2=O)n2ncnc2n1
InChIInChI=1S/C17H17ClN6O/c1-2-12-9-15(24-17(21-12)19-10-20-24)22-14-6-7-23(16(14)25)13-5-3-4-11(18)8-13/h3-5,8-10,14,22H,2,6-7H2,1H3
InChIKeyVIMLTQGFYSKHMI-UHFFFAOYSA-N
MW356.82 g/mol
LogP2.56
Rot. Bonds4

About 1-(3-chlorophenyl)-3-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pyrrolidin-2-one

1-(3-chlorophenyl)-3-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pyrrolidin-2-one (PubChem CID 133338490) has the molecular formula C17H17ClN6O and a molecular weight of 356.82 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pyrrolidin-2-one
PubChem CID133338490
Molecular FormulaC17H17ClN6O
Molecular Weight356.82 g/mol
Exact Mass356.12
IUPAC Name1-(3-chlorophenyl)-3-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pyrrolidin-2-one
SMILESCCc1cc(NC2CCN(c3cccc(Cl)c3)C2=O)n2ncnc2n1
InChIInChI=1S/C17H17ClN6O/c1-2-12-9-15(24-17(21-12)19-10-20-24)22-14-6-7-23(16(14)25)13-5-3-4-11(18)8-13/h3-5,8-10,14,22H,2,6-7H2,1H3
InChIKeyVIMLTQGFYSKHMI-UHFFFAOYSA-N
XLogP2.56
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.82
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pyrrolidin-2-one?
The IUPAC name of 1-(3-chlorophenyl)-3-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pyrrolidin-2-one (CID 133338490) is 1-(3-chlorophenyl)-3-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pyrrolidin-2-one.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pyrrolidin-2-one?
The canonical SMILES for 1-(3-chlorophenyl)-3-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pyrrolidin-2-one is CCc1cc(NC2CCN(c3cccc(Cl)c3)C2=O)n2ncnc2n1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pyrrolidin-2-one?
The InChIKey is VIMLTQGFYSKHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN6O/c1-2-12-9-15(24-17(21-12)19-10-20-24)22-14-6-7-23(16(14)25)13-5-3-4-11(18)8-13/h3-5,8-10,14,22H,2,6-7H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-3-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pyrrolidin-2-one?
1-(3-chlorophenyl)-3-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pyrrolidin-2-one has a molecular weight of 356.82 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pyrrolidin-2-one is sourced from PubChem (CID 133338490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).