3-methyl-5-(1,2,4-triazin-3-yl)piperazin-2-one

C8H11N5O — CID 82402149

IUPAC3-methyl-5-(1,2,4-triazin-3-yl)piperazin-2-one
SMILESCC1NC(c2nccnn2)CNC1=O
InChIInChI=1S/C8H11N5O/c1-5-8(14)10-4-6(12-5)7-9-2-3-11-13-7/h2-3,5-6,12H,4H2,1H3,(H,10,14)
InChIKeyXUZYRGJOVQMAAH-UHFFFAOYSA-N
MW193.21 g/mol
LogP-0.98
Rot. Bonds1

About 3-methyl-5-(1,2,4-triazin-3-yl)piperazin-2-one

3-methyl-5-(1,2,4-triazin-3-yl)piperazin-2-one (PubChem CID 82402149) has the molecular formula C8H11N5O and a molecular weight of 193.21 g/mol. Its IUPAC name is 3-methyl-5-(1,2,4-triazin-3-yl)piperazin-2-one.

Molecular Properties

Compound Name3-methyl-5-(1,2,4-triazin-3-yl)piperazin-2-one
PubChem CID82402149
Molecular FormulaC8H11N5O
Molecular Weight193.21 g/mol
Exact Mass193.10
IUPAC Name3-methyl-5-(1,2,4-triazin-3-yl)piperazin-2-one
SMILESCC1NC(c2nccnn2)CNC1=O
InChIInChI=1S/C8H11N5O/c1-5-8(14)10-4-6(12-5)7-9-2-3-11-13-7/h2-3,5-6,12H,4H2,1H3,(H,10,14)
InChIKeyXUZYRGJOVQMAAH-UHFFFAOYSA-N
XLogP-0.98
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 5-0.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-3-methyl-5-(1,3-oxazol-5-yl)piperazin-2-one
CID 82408542
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CID 82384390
5-(2,7-dimethylimidazo[1,2-a]imidazol-6-yl)-3-methylpiperazin-2-one
CID 82383902
5-(2,3-dihydro-1-benzothiophen-6-yl)-3-methylpiperazin-2-one
CID 82383297
(3S)-5-(4H-1,3-benzodioxin-8-yl)-3-methylpiperazin-2-one
CID 82383520
(3S,5R)-3-[(2-methylphenyl)methyl]-5-phenylpiperazin-2-one
CID 135364713
5-methyl-3-(6-methyl-3-pyridinyl)piperazin-2-one
CID 112545941
5-oxo-N-(1,2,4-triazin-3-yl)pyrrolidine-3-carboxamide
CID 114388995
(3S,6S,9R,12S,15S)-3,6,9,12,15-pentamethyl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone
CID 102149559
4-pyrimidin-2-yl-4H-oxazin-3-one
CID 67547168
(2S)-2-methyl-1,2,4,5-tetrahydropyrido[2,3-e][1,4]diazepin-3-one
CID 59277595
4-methyl-3-sulfanylpyrrolidin-2-one
CID 87332414

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(1,2,4-triazin-3-yl)piperazin-2-one?
The IUPAC name of 3-methyl-5-(1,2,4-triazin-3-yl)piperazin-2-one (CID 82402149) is 3-methyl-5-(1,2,4-triazin-3-yl)piperazin-2-one.
What is the SMILES notation for 3-methyl-5-(1,2,4-triazin-3-yl)piperazin-2-one?
The canonical SMILES for 3-methyl-5-(1,2,4-triazin-3-yl)piperazin-2-one is CC1NC(c2nccnn2)CNC1=O.
What is the InChIKey of 3-methyl-5-(1,2,4-triazin-3-yl)piperazin-2-one?
The InChIKey is XUZYRGJOVQMAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O/c1-5-8(14)10-4-6(12-5)7-9-2-3-11-13-7/h2-3,5-6,12H,4H2,1H3,(H,10,14).
What are the key properties of 3-methyl-5-(1,2,4-triazin-3-yl)piperazin-2-one?
3-methyl-5-(1,2,4-triazin-3-yl)piperazin-2-one has a molecular weight of 193.21 g/mol, XLogP of -0.98, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(1,2,4-triazin-3-yl)piperazin-2-one is sourced from PubChem (CID 82402149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).