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

C20H24N6O — CID 166216007

IUPAC1-[2-phenyl-2-[(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]pyrrolidin-2-one
SMILESCCCc1cc(NC(CN2CCCC2=O)c2ccccc2)n2ncnc2n1
InChIInChI=1S/C20H24N6O/c1-2-7-16-12-18(26-20(23-16)21-14-22-26)24-17(15-8-4-3-5-9-15)13-25-11-6-10-19(25)27/h3-5,8-9,12,14,17,24H,2,6-7,10-11,13H2,1H3
InChIKeyXMVQRTKXDJZGTJ-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.85
Rot. Bonds7

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

1-[2-phenyl-2-[(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]pyrrolidin-2-one (PubChem CID 166216007) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is 1-[2-phenyl-2-[(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-phenyl-2-[(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]pyrrolidin-2-one
PubChem CID166216007
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC Name1-[2-phenyl-2-[(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]pyrrolidin-2-one
SMILESCCCc1cc(NC(CN2CCCC2=O)c2ccccc2)n2ncnc2n1
InChIInChI=1S/C20H24N6O/c1-2-7-16-12-18(26-20(23-16)21-14-22-26)24-17(15-8-4-3-5-9-15)13-25-11-6-10-19(25)27/h3-5,8-9,12,14,17,24H,2,6-7,10-11,13H2,1H3
InChIKeyXMVQRTKXDJZGTJ-UHFFFAOYSA-N
XLogP2.85
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-phenyl-2-[(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-phenyl-2-[(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]pyrrolidin-2-one (CID 166216007) is 1-[2-phenyl-2-[(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-phenyl-2-[(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-phenyl-2-[(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]pyrrolidin-2-one is CCCc1cc(NC(CN2CCCC2=O)c2ccccc2)n2ncnc2n1.
What is the InChIKey of 1-[2-phenyl-2-[(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]pyrrolidin-2-one?
The InChIKey is XMVQRTKXDJZGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O/c1-2-7-16-12-18(26-20(23-16)21-14-22-26)24-17(15-8-4-3-5-9-15)13-25-11-6-10-19(25)27/h3-5,8-9,12,14,17,24H,2,6-7,10-11,13H2,1H3.
What are the key properties of 1-[2-phenyl-2-[(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]pyrrolidin-2-one?
1-[2-phenyl-2-[(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]pyrrolidin-2-one has a molecular weight of 364.45 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-phenyl-2-[(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 166216007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).