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

C13H17N5O2 — CID 66283538

IUPAC7-(3-acetylpiperidin-1-yl)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCC(=O)C1CCCN(c2cc3n[nH]c(=O)n3c(C)n2)C1
InChIInChI=1S/C13H17N5O2/c1-8(19)10-4-3-5-17(7-10)11-6-12-15-16-13(20)18(12)9(2)14-11/h6,10H,3-5,7H2,1-2H3,(H,16,20)
InChIKeyFPCUGMSVIFHQHH-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.53
Rot. Bonds2

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

7-(3-acetylpiperidin-1-yl)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (PubChem CID 66283538) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 7-(3-acetylpiperidin-1-yl)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.

Molecular Properties

Compound Name7-(3-acetylpiperidin-1-yl)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
PubChem CID66283538
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name7-(3-acetylpiperidin-1-yl)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCC(=O)C1CCCN(c2cc3n[nH]c(=O)n3c(C)n2)C1
InChIInChI=1S/C13H17N5O2/c1-8(19)10-4-3-5-17(7-10)11-6-12-15-16-13(20)18(12)9(2)14-11/h6,10H,3-5,7H2,1-2H3,(H,16,20)
InChIKeyFPCUGMSVIFHQHH-UHFFFAOYSA-N
XLogP0.53
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(3-acetylpiperidin-1-yl)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The IUPAC name of 7-(3-acetylpiperidin-1-yl)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (CID 66283538) is 7-(3-acetylpiperidin-1-yl)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.
What is the SMILES notation for 7-(3-acetylpiperidin-1-yl)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The canonical SMILES for 7-(3-acetylpiperidin-1-yl)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is CC(=O)C1CCCN(c2cc3n[nH]c(=O)n3c(C)n2)C1.
What is the InChIKey of 7-(3-acetylpiperidin-1-yl)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The InChIKey is FPCUGMSVIFHQHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-8(19)10-4-3-5-17(7-10)11-6-12-15-16-13(20)18(12)9(2)14-11/h6,10H,3-5,7H2,1-2H3,(H,16,20).
What are the key properties of 7-(3-acetylpiperidin-1-yl)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
7-(3-acetylpiperidin-1-yl)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one has a molecular weight of 275.31 g/mol, XLogP of 0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-acetylpiperidin-1-yl)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is sourced from PubChem (CID 66283538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).