1-tert-butyl-4-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]pyrrolidin-2-one

C15H22N6O2 — CID 133342238

IUPAC1-tert-butyl-4-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]pyrrolidin-2-one
SMILESCOCc1cc(NC2CC(=O)N(C(C)(C)C)C2)n2ncnc2n1
InChIInChI=1S/C15H22N6O2/c1-15(2,3)20-7-10(6-13(20)22)18-12-5-11(8-23-4)19-14-16-9-17-21(12)14/h5,9-10,18H,6-8H2,1-4H3
InChIKeyFKUPRKYHKDEPCZ-UHFFFAOYSA-N
MW318.38 g/mol
LogP1.08
Rot. Bonds4

About 1-tert-butyl-4-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]pyrrolidin-2-one

1-tert-butyl-4-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]pyrrolidin-2-one (PubChem CID 133342238) has the molecular formula C15H22N6O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 1-tert-butyl-4-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]pyrrolidin-2-one.

Molecular Properties

Compound Name1-tert-butyl-4-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]pyrrolidin-2-one
PubChem CID133342238
Molecular FormulaC15H22N6O2
Molecular Weight318.38 g/mol
Exact Mass318.18
IUPAC Name1-tert-butyl-4-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]pyrrolidin-2-one
SMILESCOCc1cc(NC2CC(=O)N(C(C)(C)C)C2)n2ncnc2n1
InChIInChI=1S/C15H22N6O2/c1-15(2,3)20-7-10(6-13(20)22)18-12-5-11(8-23-4)19-14-16-9-17-21(12)14/h5,9-10,18H,6-8H2,1-4H3
InChIKeyFKUPRKYHKDEPCZ-UHFFFAOYSA-N
XLogP1.08
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]pyrrolidin-2-one?
The IUPAC name of 1-tert-butyl-4-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]pyrrolidin-2-one (CID 133342238) is 1-tert-butyl-4-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]pyrrolidin-2-one.
What is the SMILES notation for 1-tert-butyl-4-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]pyrrolidin-2-one?
The canonical SMILES for 1-tert-butyl-4-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]pyrrolidin-2-one is COCc1cc(NC2CC(=O)N(C(C)(C)C)C2)n2ncnc2n1.
What is the InChIKey of 1-tert-butyl-4-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]pyrrolidin-2-one?
The InChIKey is FKUPRKYHKDEPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O2/c1-15(2,3)20-7-10(6-13(20)22)18-12-5-11(8-23-4)19-14-16-9-17-21(12)14/h5,9-10,18H,6-8H2,1-4H3.
What are the key properties of 1-tert-butyl-4-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]pyrrolidin-2-one?
1-tert-butyl-4-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]pyrrolidin-2-one has a molecular weight of 318.38 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]pyrrolidin-2-one is sourced from PubChem (CID 133342238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).