4-[4-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolidin-2-one

C15H18N4O — CID 155916330

IUPAC4-[4-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolidin-2-one
SMILESCCc1nc(-c2ccc(C3CNC(=O)C3)cc2)n(C)n1
InChIInChI=1S/C15H18N4O/c1-3-13-17-15(19(2)18-13)11-6-4-10(5-7-11)12-8-14(20)16-9-12/h4-7,12H,3,8-9H2,1-2H3,(H,16,20)
InChIKeyKYZZJLFWNYNJSN-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.65
Rot. Bonds3

About 4-[4-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolidin-2-one

4-[4-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolidin-2-one (PubChem CID 155916330) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 4-[4-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[4-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolidin-2-one
PubChem CID155916330
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name4-[4-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolidin-2-one
SMILESCCc1nc(-c2ccc(C3CNC(=O)C3)cc2)n(C)n1
InChIInChI=1S/C15H18N4O/c1-3-13-17-15(19(2)18-13)11-6-4-10(5-7-11)12-8-14(20)16-9-12/h4-7,12H,3,8-9H2,1-2H3,(H,16,20)
InChIKeyKYZZJLFWNYNJSN-UHFFFAOYSA-N
XLogP1.65
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolidin-2-one?
The IUPAC name of 4-[4-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolidin-2-one (CID 155916330) is 4-[4-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 4-[4-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolidin-2-one?
The canonical SMILES for 4-[4-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolidin-2-one is CCc1nc(-c2ccc(C3CNC(=O)C3)cc2)n(C)n1.
What is the InChIKey of 4-[4-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolidin-2-one?
The InChIKey is KYZZJLFWNYNJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-3-13-17-15(19(2)18-13)11-6-4-10(5-7-11)12-8-14(20)16-9-12/h4-7,12H,3,8-9H2,1-2H3,(H,16,20).
What are the key properties of 4-[4-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolidin-2-one?
4-[4-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolidin-2-one has a molecular weight of 270.34 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 155916330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).