6-ethyl-5-methyl-2-piperidin-1-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C13H19N5O — CID 94672060

IUPAC6-ethyl-5-methyl-2-piperidin-1-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCCc1c(C)nc2nc(N3CCCCC3)[nH]n2c1=O
InChIInChI=1S/C13H19N5O/c1-3-10-9(2)14-12-15-13(16-18(12)11(10)19)17-7-5-4-6-8-17/h3-8H2,1-2H3,(H,14,15,16)
InChIKeyNWSPJRRJORHECJ-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.28
Rot. Bonds2

About 6-ethyl-5-methyl-2-piperidin-1-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

6-ethyl-5-methyl-2-piperidin-1-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 94672060) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 6-ethyl-5-methyl-2-piperidin-1-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name6-ethyl-5-methyl-2-piperidin-1-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID94672060
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name6-ethyl-5-methyl-2-piperidin-1-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCCc1c(C)nc2nc(N3CCCCC3)[nH]n2c1=O
InChIInChI=1S/C13H19N5O/c1-3-10-9(2)14-12-15-13(16-18(12)11(10)19)17-7-5-4-6-8-17/h3-8H2,1-2H3,(H,14,15,16)
InChIKeyNWSPJRRJORHECJ-UHFFFAOYSA-N
XLogP1.28
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-methyl-2-piperidin-1-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 6-ethyl-5-methyl-2-piperidin-1-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 94672060) is 6-ethyl-5-methyl-2-piperidin-1-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 6-ethyl-5-methyl-2-piperidin-1-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 6-ethyl-5-methyl-2-piperidin-1-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is CCc1c(C)nc2nc(N3CCCCC3)[nH]n2c1=O.
What is the InChIKey of 6-ethyl-5-methyl-2-piperidin-1-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is NWSPJRRJORHECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-3-10-9(2)14-12-15-13(16-18(12)11(10)19)17-7-5-4-6-8-17/h3-8H2,1-2H3,(H,14,15,16).
What are the key properties of 6-ethyl-5-methyl-2-piperidin-1-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
6-ethyl-5-methyl-2-piperidin-1-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 261.33 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-methyl-2-piperidin-1-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 94672060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).