2-methyl-3-[[3-methyl-5-(methylaminomethyl)-2-pyridinyl]sulfanyl]-1H-1,2,4-triazine-5,6-dione

C12H15N5O2S — CID 107783313

IUPAC2-methyl-3-[[3-methyl-5-(methylaminomethyl)-2-pyridinyl]sulfanyl]-1H-1,2,4-triazine-5,6-dione
SMILESCNCc1cnc(Sc2nc(=O)c(=O)[nH]n2C)c(C)c1
InChIInChI=1S/C12H15N5O2S/c1-7-4-8(5-13-2)6-14-11(7)20-12-15-9(18)10(19)16-17(12)3/h4,6,13H,5H2,1-3H3,(H,16,19)
InChIKeyXFVWGUNPTGGXNI-UHFFFAOYSA-N
MW293.35 g/mol
LogP0.04
Rot. Bonds4

About 2-methyl-3-[[3-methyl-5-(methylaminomethyl)-2-pyridinyl]sulfanyl]-1H-1,2,4-triazine-5,6-dione

2-methyl-3-[[3-methyl-5-(methylaminomethyl)-2-pyridinyl]sulfanyl]-1H-1,2,4-triazine-5,6-dione (PubChem CID 107783313) has the molecular formula C12H15N5O2S and a molecular weight of 293.35 g/mol. Its IUPAC name is 2-methyl-3-[[3-methyl-5-(methylaminomethyl)-2-pyridinyl]sulfanyl]-1H-1,2,4-triazine-5,6-dione.

Molecular Properties

Compound Name2-methyl-3-[[3-methyl-5-(methylaminomethyl)-2-pyridinyl]sulfanyl]-1H-1,2,4-triazine-5,6-dione
PubChem CID107783313
Molecular FormulaC12H15N5O2S
Molecular Weight293.35 g/mol
Exact Mass293.09
IUPAC Name2-methyl-3-[[3-methyl-5-(methylaminomethyl)-2-pyridinyl]sulfanyl]-1H-1,2,4-triazine-5,6-dione
SMILESCNCc1cnc(Sc2nc(=O)c(=O)[nH]n2C)c(C)c1
InChIInChI=1S/C12H15N5O2S/c1-7-4-8(5-13-2)6-14-11(7)20-12-15-9(18)10(19)16-17(12)3/h4,6,13H,5H2,1-3H3,(H,16,19)
InChIKeyXFVWGUNPTGGXNI-UHFFFAOYSA-N
XLogP0.04
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 2-methyl-3-[[3-methyl-5-(methylaminomethyl)-2-pyridinyl]sulfanyl]-1H-1,2,4-triazine-5,6-dione with MolForge

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Related Compounds

4-methyl-3-[[3-methyl-5-(methylaminomethyl)-2-pyridinyl]sulfanyl]-1H-1,2,4-triazol-5-one
CID 80651151
2-methyl-3-[5-methyl-2-(methylamino)pyrimidin-4-yl]sulfanyl-1H-1,2,4-triazine-5,6-dione
CID 107785336
3-(2-amino-5-methylpyrimidin-4-yl)sulfanyl-2-methyl-1H-1,2,4-triazine-5,6-dione
CID 107785248
2-methyl-3-[2-(methylaminomethyl)phenyl]sulfanyl-1H-1,2,4-triazine-5,6-dione
CID 107783333
3-[[5-(hydroxymethyl)-2-pyridinyl]sulfanyl]-2-methyl-1H-1,2,4-triazine-5,6-dione
CID 114001159
1-[6-(4-tert-butylphenyl)sulfanyl-5-methyl-3-pyridinyl]-N-methylmethanamine
CID 80628313
3-[5-(2-aminobutyl)pyrimidin-2-yl]sulfanyl-2-methyl-1H-1,2,4-triazine-5,6-dione
CID 107783712
2-methyl-3-[[2-(propylamino)-4-pyridinyl]sulfanyl]-1H-1,2,4-triazine-5,6-dione
CID 107785267
1-[6-(3-fluorophenyl)sulfanyl-5-methyl-3-pyridinyl]-N-methylmethanamine
CID 80650592
3-[6-(ethylamino)-2-methylpyrimidin-4-yl]sulfanyl-2-methyl-1H-1,2,4-triazine-5,6-dione
CID 107785263
3-[4-[(cyclopropylamino)methyl]phenyl]sulfanyl-2-methyl-1H-1,2,4-triazine-5,6-dione
CID 107783315
1-[6-[(3-bromo-2-pyridinyl)sulfanyl]-5-methyl-3-pyridinyl]-N-methylmethanamine
CID 80651010

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[[3-methyl-5-(methylaminomethyl)-2-pyridinyl]sulfanyl]-1H-1,2,4-triazine-5,6-dione?
The IUPAC name of 2-methyl-3-[[3-methyl-5-(methylaminomethyl)-2-pyridinyl]sulfanyl]-1H-1,2,4-triazine-5,6-dione (CID 107783313) is 2-methyl-3-[[3-methyl-5-(methylaminomethyl)-2-pyridinyl]sulfanyl]-1H-1,2,4-triazine-5,6-dione.
What is the SMILES notation for 2-methyl-3-[[3-methyl-5-(methylaminomethyl)-2-pyridinyl]sulfanyl]-1H-1,2,4-triazine-5,6-dione?
The canonical SMILES for 2-methyl-3-[[3-methyl-5-(methylaminomethyl)-2-pyridinyl]sulfanyl]-1H-1,2,4-triazine-5,6-dione is CNCc1cnc(Sc2nc(=O)c(=O)[nH]n2C)c(C)c1.
What is the InChIKey of 2-methyl-3-[[3-methyl-5-(methylaminomethyl)-2-pyridinyl]sulfanyl]-1H-1,2,4-triazine-5,6-dione?
The InChIKey is XFVWGUNPTGGXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2S/c1-7-4-8(5-13-2)6-14-11(7)20-12-15-9(18)10(19)16-17(12)3/h4,6,13H,5H2,1-3H3,(H,16,19).
What are the key properties of 2-methyl-3-[[3-methyl-5-(methylaminomethyl)-2-pyridinyl]sulfanyl]-1H-1,2,4-triazine-5,6-dione?
2-methyl-3-[[3-methyl-5-(methylaminomethyl)-2-pyridinyl]sulfanyl]-1H-1,2,4-triazine-5,6-dione has a molecular weight of 293.35 g/mol, XLogP of 0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[[3-methyl-5-(methylaminomethyl)-2-pyridinyl]sulfanyl]-1H-1,2,4-triazine-5,6-dione is sourced from PubChem (CID 107783313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).