5-piperidin-1-yl-2H-1,2,4-triazin-3-one

C8H12N4O — CID 22694033

IUPAC5-piperidin-1-yl-2H-1,2,4-triazin-3-one
SMILESO=c1nc(N2CCCCC2)cn[nH]1
InChIInChI=1S/C8H12N4O/c13-8-10-7(6-9-11-8)12-4-2-1-3-5-12/h6H,1-5H2,(H,10,11,13)
InChIKeyULLGXNKRJABKPW-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.16
Rot. Bonds1

About 5-piperidin-1-yl-2H-1,2,4-triazin-3-one

5-piperidin-1-yl-2H-1,2,4-triazin-3-one (PubChem CID 22694033) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is 5-piperidin-1-yl-2H-1,2,4-triazin-3-one.

Molecular Properties

Compound Name5-piperidin-1-yl-2H-1,2,4-triazin-3-one
PubChem CID22694033
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC Name5-piperidin-1-yl-2H-1,2,4-triazin-3-one
SMILESO=c1nc(N2CCCCC2)cn[nH]1
InChIInChI=1S/C8H12N4O/c13-8-10-7(6-9-11-8)12-4-2-1-3-5-12/h6H,1-5H2,(H,10,11,13)
InChIKeyULLGXNKRJABKPW-UHFFFAOYSA-N
XLogP0.16
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-pyrrolidin-1-ylpyrazine-2-carbaldehyde
CID 87957649
4-[4-(6-ethyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-1H-pyridazin-6-one
CID 50970168
6-morpholin-4-yl-4-piperidin-1-yl-1H-pyrimidin-2-one
CID 155531007
1-(5-pyrrolidin-1-yl-1,2,4-triazin-3-yl)azepane
CID 112941121
6-pyrrolidin-1-yl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
CID 166197479
N-cyclohexyl-2-[(3-oxo-2H-1,2,4-triazin-5-yl)sulfanyl]acetamide
CID 23605473
5-pyrrolidin-1-yl-1H-pyrazole-4-carboxylic acid
CID 83618694
4-pyrrolidin-1-yl-5-(trifluoromethyl)-1H-pyridazin-6-one
CID 153358084
piperidin-1-yl-(6-piperidin-1-ylpyrazin-2-yl)methanone
CID 165345728
ethyl 6-pyrrolidin-1-yl-1H-pyrazolo[5,4-b]pyridine-4-carboxylate
CID 166306315
4-(1H-indazol-5-yl)-6-piperidin-1-yl-1H-pyridin-2-one
CID 59028194
1-(4-tert-butyl-1H-pyrazol-5-yl)piperidine
CID 58477491

Frequently Asked Questions

What is the IUPAC name of 5-piperidin-1-yl-2H-1,2,4-triazin-3-one?
The IUPAC name of 5-piperidin-1-yl-2H-1,2,4-triazin-3-one (CID 22694033) is 5-piperidin-1-yl-2H-1,2,4-triazin-3-one.
What is the SMILES notation for 5-piperidin-1-yl-2H-1,2,4-triazin-3-one?
The canonical SMILES for 5-piperidin-1-yl-2H-1,2,4-triazin-3-one is O=c1nc(N2CCCCC2)cn[nH]1.
What is the InChIKey of 5-piperidin-1-yl-2H-1,2,4-triazin-3-one?
The InChIKey is ULLGXNKRJABKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c13-8-10-7(6-9-11-8)12-4-2-1-3-5-12/h6H,1-5H2,(H,10,11,13).
What are the key properties of 5-piperidin-1-yl-2H-1,2,4-triazin-3-one?
5-piperidin-1-yl-2H-1,2,4-triazin-3-one has a molecular weight of 180.21 g/mol, XLogP of 0.16, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperidin-1-yl-2H-1,2,4-triazin-3-one is sourced from PubChem (CID 22694033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).