5-methyl-1-(6-methyl-2-pyridinyl)-1,2,4-triazinan-3-one

C10H14N4O — CID 10726964

IUPAC5-methyl-1-(6-methyl-2-pyridinyl)-1,2,4-triazinan-3-one
SMILESCc1cccc(N2CC(C)NC(=O)N2)n1
InChIInChI=1S/C10H14N4O/c1-7-4-3-5-9(11-7)14-6-8(2)12-10(15)13-14/h3-5,8H,6H2,1-2H3,(H2,12,13,15)
InChIKeyVGSWWJUIJHMRJS-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.81
Rot. Bonds1

About 5-methyl-1-(6-methyl-2-pyridinyl)-1,2,4-triazinan-3-one

5-methyl-1-(6-methyl-2-pyridinyl)-1,2,4-triazinan-3-one (PubChem CID 10726964) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 5-methyl-1-(6-methyl-2-pyridinyl)-1,2,4-triazinan-3-one.

Molecular Properties

Compound Name5-methyl-1-(6-methyl-2-pyridinyl)-1,2,4-triazinan-3-one
PubChem CID10726964
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name5-methyl-1-(6-methyl-2-pyridinyl)-1,2,4-triazinan-3-one
SMILESCc1cccc(N2CC(C)NC(=O)N2)n1
InChIInChI=1S/C10H14N4O/c1-7-4-3-5-9(11-7)14-6-8(2)12-10(15)13-14/h3-5,8H,6H2,1-2H3,(H2,12,13,15)
InChIKeyVGSWWJUIJHMRJS-UHFFFAOYSA-N
XLogP0.81
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-methyl-1-(6-methyl-2-pyridinyl)-1,2,4-triazinan-3-one with MolForge

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Launch Full Analysis

Related Compounds

Piperazine, 1-(6-methyl-2-pyridinyl)-, dihydrochloride
CID 3078152
1-(6-Methylpyridin-2-yl)-3-propyl-urea
CID 6469265
1,2,4-Triazin-3(2H)-one, tetrahydro-1-(2-pyridinyl)-
CID 10702459
Piperazine, 1-(6-hexyl-2-pyridinyl)-
CID 3078157
1-(6-Chloro-pyridin-2-yl)-[1,2,4]triazinan-3-one
CID 10059051
1-(6-Bromo-pyridin-2-yl)-[1,2,4]triazinan-3-one
CID 10587216
1-(6-Fluoro-pyridin-2-yl)-5-methyl-[1,2,4]triazinan-3-one
CID 10632239
1-(6-Chloro-pyridin-2-yl)-5-methyl-[1,2,4]triazinan-3-one
CID 10633035
1-(6-Methyl-pyridin-2-yl)-[1,2,4]triazinan-3-one
CID 10679286
1-[2,2'']Bipyridinyl-6-yl-[1,2,4]triazinan-3-one
CID 10824904
1-(6-Fluoropyridin-2-yl)-1,2,4-triazinan-3-one
CID 10845542
1-(6-Bromopyridin-2-yl)-5-methyl-1,2,4-triazinan-3-one
CID 10849702

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(6-methyl-2-pyridinyl)-1,2,4-triazinan-3-one?
The IUPAC name of 5-methyl-1-(6-methyl-2-pyridinyl)-1,2,4-triazinan-3-one (CID 10726964) is 5-methyl-1-(6-methyl-2-pyridinyl)-1,2,4-triazinan-3-one.
What is the SMILES notation for 5-methyl-1-(6-methyl-2-pyridinyl)-1,2,4-triazinan-3-one?
The canonical SMILES for 5-methyl-1-(6-methyl-2-pyridinyl)-1,2,4-triazinan-3-one is Cc1cccc(N2CC(C)NC(=O)N2)n1.
What is the InChIKey of 5-methyl-1-(6-methyl-2-pyridinyl)-1,2,4-triazinan-3-one?
The InChIKey is VGSWWJUIJHMRJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-7-4-3-5-9(11-7)14-6-8(2)12-10(15)13-14/h3-5,8H,6H2,1-2H3,(H2,12,13,15).
What are the key properties of 5-methyl-1-(6-methyl-2-pyridinyl)-1,2,4-triazinan-3-one?
5-methyl-1-(6-methyl-2-pyridinyl)-1,2,4-triazinan-3-one has a molecular weight of 206.25 g/mol, XLogP of 0.81, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(6-methyl-2-pyridinyl)-1,2,4-triazinan-3-one is sourced from PubChem (CID 10726964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).