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

C11H15N5OS — CID 50928566

IUPAC2-piperidin-1-yl-5-(sulfanylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(CS)nc2nc(N3CCCCC3)[nH]n12
InChIInChI=1S/C11H15N5OS/c17-9-6-8(7-18)12-10-13-11(14-16(9)10)15-4-2-1-3-5-15/h6,18H,1-5,7H2,(H,12,13,14)
InChIKeyPNWCXPYUBQLWGO-UHFFFAOYSA-N
MW265.34 g/mol
LogP0.84
Rot. Bonds2

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

2-piperidin-1-yl-5-(sulfanylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 50928566) has the molecular formula C11H15N5OS and a molecular weight of 265.34 g/mol. Its IUPAC name is 2-piperidin-1-yl-5-(sulfanylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-piperidin-1-yl-5-(sulfanylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID50928566
Molecular FormulaC11H15N5OS
Molecular Weight265.34 g/mol
Exact Mass265.10
IUPAC Name2-piperidin-1-yl-5-(sulfanylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(CS)nc2nc(N3CCCCC3)[nH]n12
InChIInChI=1S/C11H15N5OS/c17-9-6-8(7-18)12-10-13-11(14-16(9)10)15-4-2-1-3-5-15/h6,18H,1-5,7H2,(H,12,13,14)
InChIKeyPNWCXPYUBQLWGO-UHFFFAOYSA-N
XLogP0.84
TPSA66.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

5-Methyl-2-piperidin-1-yl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
CID 14547518
5-Chloromethyl-2-piperidin-1-yl-4H-[1,2,4]-triazolo[1,5-a]pyrimidin-7-one
CID 29888444
5-methyl-2-(2-methylpiperidin-1-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 71563685
5-methyl-2-(4-methylpiperidin-1-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 71563687
5-ethyl-2-piperidin-1-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 94672053
5-methyl-2-thiomorpholin-4-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 94672065
2-(4-Amino-piperidin-1-yl)-5-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 97619400
5-(thiomorpholin-4-ylmethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
CID 135109181

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-yl-5-(sulfanylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-piperidin-1-yl-5-(sulfanylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 50928566) is 2-piperidin-1-yl-5-(sulfanylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-piperidin-1-yl-5-(sulfanylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-piperidin-1-yl-5-(sulfanylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is O=c1cc(CS)nc2nc(N3CCCCC3)[nH]n12.
What is the InChIKey of 2-piperidin-1-yl-5-(sulfanylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is PNWCXPYUBQLWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5OS/c17-9-6-8(7-18)12-10-13-11(14-16(9)10)15-4-2-1-3-5-15/h6,18H,1-5,7H2,(H,12,13,14).
What are the key properties of 2-piperidin-1-yl-5-(sulfanylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
2-piperidin-1-yl-5-(sulfanylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 265.34 g/mol, XLogP of 0.84, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-yl-5-(sulfanylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 50928566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).