5-methyl-7-[(1-methyl-6-oxopiperidin-3-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

C12H16N6O2 — CID 66282977

IUPAC5-methyl-7-[(1-methyl-6-oxopiperidin-3-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCc1nc(NC2CCC(=O)N(C)C2)cc2n[nH]c(=O)n12
InChIInChI=1S/C12H16N6O2/c1-7-13-9(5-10-15-16-12(20)18(7)10)14-8-3-4-11(19)17(2)6-8/h5,8,14H,3-4,6H2,1-2H3,(H,16,20)
InChIKeyOYJQQPLCAYIAEF-UHFFFAOYSA-N
MW276.30 g/mol
LogP-0.24
Rot. Bonds2

About 5-methyl-7-[(1-methyl-6-oxopiperidin-3-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

5-methyl-7-[(1-methyl-6-oxopiperidin-3-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (PubChem CID 66282977) has the molecular formula C12H16N6O2 and a molecular weight of 276.30 g/mol. Its IUPAC name is 5-methyl-7-[(1-methyl-6-oxopiperidin-3-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.

Molecular Properties

Compound Name5-methyl-7-[(1-methyl-6-oxopiperidin-3-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
PubChem CID66282977
Molecular FormulaC12H16N6O2
Molecular Weight276.30 g/mol
Exact Mass276.13
IUPAC Name5-methyl-7-[(1-methyl-6-oxopiperidin-3-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCc1nc(NC2CCC(=O)N(C)C2)cc2n[nH]c(=O)n12
InChIInChI=1S/C12H16N6O2/c1-7-13-9(5-10-15-16-12(20)18(7)10)14-8-3-4-11(19)17(2)6-8/h5,8,14H,3-4,6H2,1-2H3,(H,16,20)
InChIKeyOYJQQPLCAYIAEF-UHFFFAOYSA-N
XLogP-0.24
TPSA95.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-[(1-methyl-6-oxopiperidin-3-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The IUPAC name of 5-methyl-7-[(1-methyl-6-oxopiperidin-3-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (CID 66282977) is 5-methyl-7-[(1-methyl-6-oxopiperidin-3-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.
What is the SMILES notation for 5-methyl-7-[(1-methyl-6-oxopiperidin-3-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The canonical SMILES for 5-methyl-7-[(1-methyl-6-oxopiperidin-3-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is Cc1nc(NC2CCC(=O)N(C)C2)cc2n[nH]c(=O)n12.
What is the InChIKey of 5-methyl-7-[(1-methyl-6-oxopiperidin-3-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The InChIKey is OYJQQPLCAYIAEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O2/c1-7-13-9(5-10-15-16-12(20)18(7)10)14-8-3-4-11(19)17(2)6-8/h5,8,14H,3-4,6H2,1-2H3,(H,16,20).
What are the key properties of 5-methyl-7-[(1-methyl-6-oxopiperidin-3-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
5-methyl-7-[(1-methyl-6-oxopiperidin-3-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one has a molecular weight of 276.30 g/mol, XLogP of -0.24, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-[(1-methyl-6-oxopiperidin-3-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is sourced from PubChem (CID 66282977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).