2,5-dimethyl-6-(piperidin-1-ylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C13H19N5O — CID 1491342

IUPAC2,5-dimethyl-6-(piperidin-1-ylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2nc(C)c(CN3CCCCC3)c(=O)n2[nH]1
InChIInChI=1S/C13H19N5O/c1-9-11(8-17-6-4-3-5-7-17)12(19)18-13(14-9)15-10(2)16-18/h3-8H2,1-2H3,(H,14,15,16)
InChIKeyAVIBQBIIWNCUJX-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.02
Rot. Bonds2

About 2,5-dimethyl-6-(piperidin-1-ylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

2,5-dimethyl-6-(piperidin-1-ylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 1491342) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 2,5-dimethyl-6-(piperidin-1-ylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2,5-dimethyl-6-(piperidin-1-ylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID1491342
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name2,5-dimethyl-6-(piperidin-1-ylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2nc(C)c(CN3CCCCC3)c(=O)n2[nH]1
InChIInChI=1S/C13H19N5O/c1-9-11(8-17-6-4-3-5-7-17)12(19)18-13(14-9)15-10(2)16-18/h3-8H2,1-2H3,(H,14,15,16)
InChIKeyAVIBQBIIWNCUJX-UHFFFAOYSA-N
XLogP1.02
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 ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-Dimethyl-6-(pyrrolidin-1-ylmethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
CID 1491340
5-Methyl-6-(1-piperidinylmethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
CID 3560666
5-Methyl-6-(piperidin-1-ylmethyl)-2-sulfanylidene-1,4-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 5222843
2-(7-hydroxy-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-methyl-N-(1-methylpiperidin-4-yl)acetamide
CID 16415643
5,6-dimethyl-N-[2-methyl-1-(2-methylpiperidin-1-yl)propan-2-yl]-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 46954615
5-methyl-6-[(4-methyl-1-piperazinyl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
CID 56696546
5,6-dimethyl-N-[2-methyl-1-[(2R)-2-methylpiperidin-1-yl]propan-2-yl]-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 92604307
5,6-dimethyl-N-[2-methyl-1-[(2S)-2-methylpiperidin-1-yl]propan-2-yl]-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 92604308
5,6-dimethyl-2-piperidin-1-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 94672059
6-ethyl-5-methyl-2-piperidin-1-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 94672060
5-ethyl-6-methyl-2-piperidin-1-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 94672061
5,6-dimethyl-2-(4-methylpiperidin-1-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 94672064

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-6-(piperidin-1-ylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2,5-dimethyl-6-(piperidin-1-ylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 1491342) is 2,5-dimethyl-6-(piperidin-1-ylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2,5-dimethyl-6-(piperidin-1-ylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2,5-dimethyl-6-(piperidin-1-ylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is Cc1nc2nc(C)c(CN3CCCCC3)c(=O)n2[nH]1.
What is the InChIKey of 2,5-dimethyl-6-(piperidin-1-ylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is AVIBQBIIWNCUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-9-11(8-17-6-4-3-5-7-17)12(19)18-13(14-9)15-10(2)16-18/h3-8H2,1-2H3,(H,14,15,16).
What are the key properties of 2,5-dimethyl-6-(piperidin-1-ylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
2,5-dimethyl-6-(piperidin-1-ylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 261.33 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-6-(piperidin-1-ylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 1491342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).