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

C10H14N6O — CID 171118036

IUPAC2-methyl-5-piperidin-1-yl-6H-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-one
SMILESCc1nc2nc(N3CCCCC3)[nH]c(=O)n2n1
InChIInChI=1S/C10H14N6O/c1-7-11-9-12-8(13-10(17)16(9)14-7)15-5-3-2-4-6-15/h2-6H2,1H3,(H,11,12,13,14,17)
InChIKeyHQIRCTZOFKKHEJ-UHFFFAOYSA-N
MW234.26 g/mol
LogP0.11
Rot. Bonds1

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

2-methyl-5-piperidin-1-yl-6H-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-one (PubChem CID 171118036) has the molecular formula C10H14N6O and a molecular weight of 234.26 g/mol. Its IUPAC name is 2-methyl-5-piperidin-1-yl-6H-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-one.

Molecular Properties

Compound Name2-methyl-5-piperidin-1-yl-6H-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-one
PubChem CID171118036
Molecular FormulaC10H14N6O
Molecular Weight234.26 g/mol
Exact Mass234.12
IUPAC Name2-methyl-5-piperidin-1-yl-6H-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-one
SMILESCc1nc2nc(N3CCCCC3)[nH]c(=O)n2n1
InChIInChI=1S/C10H14N6O/c1-7-11-9-12-8(13-10(17)16(9)14-7)15-5-3-2-4-6-15/h2-6H2,1H3,(H,11,12,13,14,17)
InChIKeyHQIRCTZOFKKHEJ-UHFFFAOYSA-N
XLogP0.11
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

3-(dimethylamino)-N-(1,5-dimethyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 46997513
N-(1,5-dimethyl-1H-1,2,4-triazol-3-yl)-4-fluoropiperidine-1-carboxamide
CID 46987979
5-Dimethylamino-2-methyl[1,2,4]triazolo[1,5-a][1,3,5]-triazin-7(3h)-one
CID 171118006
5-Diethylamino-2-methyl[1,2,4]triazolo[1,5-a][1,3,5]-triazin-7(3h)-one
CID 171118023
N-(1,5-dimethyl-1H-1,2,4-triazol-3-yl)-3,3-difluoropiperidine-1-carboxamide
CID 46987521
N-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 81585659
2-ethyl-3-methyl-7-piperidin-1-yl-6H-[1,2,4]triazolo[4,3-a][1,3,5]triazin-2-ium-5-one
CID 171118074

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-piperidin-1-yl-6H-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-one?
The IUPAC name of 2-methyl-5-piperidin-1-yl-6H-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-one (CID 171118036) is 2-methyl-5-piperidin-1-yl-6H-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-one.
What is the SMILES notation for 2-methyl-5-piperidin-1-yl-6H-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-one?
The canonical SMILES for 2-methyl-5-piperidin-1-yl-6H-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-one is Cc1nc2nc(N3CCCCC3)[nH]c(=O)n2n1.
What is the InChIKey of 2-methyl-5-piperidin-1-yl-6H-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-one?
The InChIKey is HQIRCTZOFKKHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O/c1-7-11-9-12-8(13-10(17)16(9)14-7)15-5-3-2-4-6-15/h2-6H2,1H3,(H,11,12,13,14,17).
What are the key properties of 2-methyl-5-piperidin-1-yl-6H-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-one?
2-methyl-5-piperidin-1-yl-6H-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-one has a molecular weight of 234.26 g/mol, XLogP of 0.11, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-piperidin-1-yl-6H-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-one is sourced from PubChem (CID 171118036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).