5-piperidin-1-yl-6H-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-one

C9H12N6O — CID 171118024

IUPAC5-piperidin-1-yl-6H-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-one
SMILESO=c1[nH]c(N2CCCCC2)nc2ncnn12
InChIInChI=1S/C9H12N6O/c16-9-13-8(14-4-2-1-3-5-14)12-7-10-6-11-15(7)9/h6H,1-5H2,(H,10,11,12,13,16)
InChIKeyCLSDLUJZZVKZDK-UHFFFAOYSA-N
MW220.24 g/mol
LogP-0.20
Rot. Bonds1

About 5-piperidin-1-yl-6H-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-one

5-piperidin-1-yl-6H-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-one (PubChem CID 171118024) has the molecular formula C9H12N6O and a molecular weight of 220.24 g/mol. Its IUPAC name is 5-piperidin-1-yl-6H-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-one.

Molecular Properties

Compound Name5-piperidin-1-yl-6H-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-one
PubChem CID171118024
Molecular FormulaC9H12N6O
Molecular Weight220.24 g/mol
Exact Mass220.11
IUPAC Name5-piperidin-1-yl-6H-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-one
SMILESO=c1[nH]c(N2CCCCC2)nc2ncnn12
InChIInChI=1S/C9H12N6O/c16-9-13-8(14-4-2-1-3-5-14)12-7-10-6-11-15(7)9/h6H,1-5H2,(H,10,11,12,13,16)
InChIKeyCLSDLUJZZVKZDK-UHFFFAOYSA-N
XLogP-0.20
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 115039333
5,6-dimethyl-7-piperidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 53017023
7-(azepan-1-yl)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 102918340
2-piperidin-1-yl-3H-pteridin-4-one
CID 137198974
5-chloro-6-methyl-7-piperidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 103076148
4-hydroxy-2-piperidin-1-yl-1H-pyrimidin-6-one
CID 30033455
2-piperidin-1-yl-1H-pyrimidin-6-one
CID 1404202
4-tert-butyl-2-piperidin-1-yl-1H-pyrimidin-6-one
CID 135973612
4-(chloromethyl)-2-piperidin-1-yl-1H-pyrimidin-6-one
CID 135978506
2-(azepan-1-yl)-5-bromo-1H-pyrimidin-6-one
CID 66316570
4-cyclopentyl-2-piperidin-1-yl-1H-pyrimidin-6-one
CID 136729575
5-methyl-6-propan-2-yl-7-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 167337186

Frequently Asked Questions

What is the IUPAC name of 5-piperidin-1-yl-6H-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-one?
The IUPAC name of 5-piperidin-1-yl-6H-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-one (CID 171118024) is 5-piperidin-1-yl-6H-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-one.
What is the SMILES notation for 5-piperidin-1-yl-6H-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-one?
The canonical SMILES for 5-piperidin-1-yl-6H-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-one is O=c1[nH]c(N2CCCCC2)nc2ncnn12.
What is the InChIKey of 5-piperidin-1-yl-6H-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-one?
The InChIKey is CLSDLUJZZVKZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6O/c16-9-13-8(14-4-2-1-3-5-14)12-7-10-6-11-15(7)9/h6H,1-5H2,(H,10,11,12,13,16).
What are the key properties of 5-piperidin-1-yl-6H-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-one?
5-piperidin-1-yl-6H-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-one has a molecular weight of 220.24 g/mol, XLogP of -0.20, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperidin-1-yl-6H-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-one is sourced from PubChem (CID 171118024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).