5-methyl-2-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]ethyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C17H22N6O3 — CID 56878639

IUPAC5-methyl-2-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]ethyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(=O)n2[nH]c(CC(=O)N3CCC(N4CCCC4=O)CC3)nc2n1
InChIInChI=1S/C17H22N6O3/c1-11-9-16(26)23-17(18-11)19-13(20-23)10-15(25)21-7-4-12(5-8-21)22-6-2-3-14(22)24/h9,12H,2-8,10H2,1H3,(H,18,19,20)
InChIKeyYLHFNNQJQRMKJO-UHFFFAOYSA-N
MW358.40 g/mol
LogP-0.12
Rot. Bonds3

About 5-methyl-2-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]ethyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

5-methyl-2-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]ethyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 56878639) has the molecular formula C17H22N6O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is 5-methyl-2-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]ethyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-methyl-2-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]ethyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID56878639
Molecular FormulaC17H22N6O3
Molecular Weight358.40 g/mol
Exact Mass358.18
IUPAC Name5-methyl-2-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]ethyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(=O)n2[nH]c(CC(=O)N3CCC(N4CCCC4=O)CC3)nc2n1
InChIInChI=1S/C17H22N6O3/c1-11-9-16(26)23-17(18-11)19-13(20-23)10-15(25)21-7-4-12(5-8-21)22-6-2-3-14(22)24/h9,12H,2-8,10H2,1H3,(H,18,19,20)
InChIKeyYLHFNNQJQRMKJO-UHFFFAOYSA-N
XLogP-0.12
TPSA103.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]ethyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-methyl-2-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]ethyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 56878639) is 5-methyl-2-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]ethyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-methyl-2-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]ethyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-methyl-2-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]ethyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is Cc1cc(=O)n2[nH]c(CC(=O)N3CCC(N4CCCC4=O)CC3)nc2n1.
What is the InChIKey of 5-methyl-2-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]ethyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is YLHFNNQJQRMKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O3/c1-11-9-16(26)23-17(18-11)19-13(20-23)10-15(25)21-7-4-12(5-8-21)22-6-2-3-14(22)24/h9,12H,2-8,10H2,1H3,(H,18,19,20).
What are the key properties of 5-methyl-2-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]ethyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
5-methyl-2-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]ethyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 358.40 g/mol, XLogP of -0.12, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]ethyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 56878639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).