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

C13H19N5O — CID 82485203

IUPAC2-piperidin-4-yl-5-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCC(C)c1cc(=O)n2[nH]c(C3CCNCC3)nc2n1
InChIInChI=1S/C13H19N5O/c1-8(2)10-7-11(19)18-13(15-10)16-12(17-18)9-3-5-14-6-4-9/h7-9,14H,3-6H2,1-2H3,(H,15,16,17)
InChIKeyYUXPDQFBHMOCIO-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.01
Rot. Bonds2

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

2-piperidin-4-yl-5-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 82485203) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 2-piperidin-4-yl-5-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-piperidin-4-yl-5-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID82485203
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name2-piperidin-4-yl-5-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCC(C)c1cc(=O)n2[nH]c(C3CCNCC3)nc2n1
InChIInChI=1S/C13H19N5O/c1-8(2)10-7-11(19)18-13(15-10)16-12(17-18)9-3-5-14-6-4-9/h7-9,14H,3-6H2,1-2H3,(H,15,16,17)
InChIKeyYUXPDQFBHMOCIO-UHFFFAOYSA-N
XLogP1.01
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-yl-5-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-piperidin-4-yl-5-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 82485203) is 2-piperidin-4-yl-5-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-piperidin-4-yl-5-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-piperidin-4-yl-5-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is CC(C)c1cc(=O)n2[nH]c(C3CCNCC3)nc2n1.
What is the InChIKey of 2-piperidin-4-yl-5-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is YUXPDQFBHMOCIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-8(2)10-7-11(19)18-13(15-10)16-12(17-18)9-3-5-14-6-4-9/h7-9,14H,3-6H2,1-2H3,(H,15,16,17).
What are the key properties of 2-piperidin-4-yl-5-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
2-piperidin-4-yl-5-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 261.33 g/mol, XLogP of 1.01, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-yl-5-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 82485203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).