4-amino-6-methyl-3-phenacylsulfanyl-1,2,4-triazin-5-one

C12H12N4O2S — CID 15505703

IUPAC4-amino-6-methyl-3-phenacylsulfanyl-1,2,4-triazin-5-one
SMILESCc1nnc(SCC(=O)c2ccccc2)n(N)c1=O
InChIInChI=1S/C12H12N4O2S/c1-8-11(18)16(13)12(15-14-8)19-7-10(17)9-5-3-2-4-6-9/h2-6H,7,13H2,1H3
InChIKeyLIQVDTUCDSWUDK-UHFFFAOYSA-N
MW276.32 g/mol
LogP0.64
Rot. Bonds4

About 4-amino-6-methyl-3-phenacylsulfanyl-1,2,4-triazin-5-one

4-amino-6-methyl-3-phenacylsulfanyl-1,2,4-triazin-5-one (PubChem CID 15505703) has the molecular formula C12H12N4O2S and a molecular weight of 276.32 g/mol. Its IUPAC name is 4-amino-6-methyl-3-phenacylsulfanyl-1,2,4-triazin-5-one.

Molecular Properties

Compound Name4-amino-6-methyl-3-phenacylsulfanyl-1,2,4-triazin-5-one
PubChem CID15505703
Molecular FormulaC12H12N4O2S
Molecular Weight276.32 g/mol
Exact Mass276.07
IUPAC Name4-amino-6-methyl-3-phenacylsulfanyl-1,2,4-triazin-5-one
SMILESCc1nnc(SCC(=O)c2ccccc2)n(N)c1=O
InChIInChI=1S/C12H12N4O2S/c1-8-11(18)16(13)12(15-14-8)19-7-10(17)9-5-3-2-4-6-9/h2-6H,7,13H2,1H3
InChIKeyLIQVDTUCDSWUDK-UHFFFAOYSA-N
XLogP0.64
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Launch Full Analysis

Related Compounds

2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N,N-dibenzylacetamide
CID 9274349
4-amino-6-methyl-3-(2-oxo-1,2-diphenylethyl)sulfanyl-1,2,4-triazin-5-one
CID 4240896
2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanylmethyl]isoindole-1,3-dione
CID 7995267
2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide
CID 8569723
ethyl 3-[[2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]acetyl]amino]benzoate
CID 39757576
2-[(5-phenacylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethanone
CID 15879978
2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide
CID 8569553
2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(4-fluorophenyl)acetamide
CID 7196648
2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(3-fluorophenyl)acetamide
CID 7196646
4-amino-6-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]sulfanyl-1,2,4-triazin-5-one
CID 39757582
4-amino-3-[2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-oxoethyl]sulfanyl-6-methyl-1,2,4-triazin-5-one
CID 4881818
2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
CID 8569743

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-methyl-3-phenacylsulfanyl-1,2,4-triazin-5-one?
The IUPAC name of 4-amino-6-methyl-3-phenacylsulfanyl-1,2,4-triazin-5-one (CID 15505703) is 4-amino-6-methyl-3-phenacylsulfanyl-1,2,4-triazin-5-one.
What is the SMILES notation for 4-amino-6-methyl-3-phenacylsulfanyl-1,2,4-triazin-5-one?
The canonical SMILES for 4-amino-6-methyl-3-phenacylsulfanyl-1,2,4-triazin-5-one is Cc1nnc(SCC(=O)c2ccccc2)n(N)c1=O.
What is the InChIKey of 4-amino-6-methyl-3-phenacylsulfanyl-1,2,4-triazin-5-one?
The InChIKey is LIQVDTUCDSWUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2S/c1-8-11(18)16(13)12(15-14-8)19-7-10(17)9-5-3-2-4-6-9/h2-6H,7,13H2,1H3.
What are the key properties of 4-amino-6-methyl-3-phenacylsulfanyl-1,2,4-triazin-5-one?
4-amino-6-methyl-3-phenacylsulfanyl-1,2,4-triazin-5-one has a molecular weight of 276.32 g/mol, XLogP of 0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-methyl-3-phenacylsulfanyl-1,2,4-triazin-5-one is sourced from PubChem (CID 15505703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).