2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-methyl-N-phenylacetamide

C12H12N4O3S — CID 1405125

IUPAC2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-methyl-N-phenylacetamide
SMILESCN(C(=O)CSc1n[nH]c(=O)[nH]c1=O)c1ccccc1
InChIInChI=1S/C12H12N4O3S/c1-16(8-5-3-2-4-6-8)9(17)7-20-11-10(18)13-12(19)15-14-11/h2-6H,7H2,1H3,(H2,13,15,18,19)
InChIKeyPUJFTTFAOVVBLQ-UHFFFAOYSA-N
MW292.32 g/mol
LogP0.21
Rot. Bonds4

About 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-methyl-N-phenylacetamide

2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-methyl-N-phenylacetamide (PubChem CID 1405125) has the molecular formula C12H12N4O3S and a molecular weight of 292.32 g/mol. Its IUPAC name is 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-methyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-methyl-N-phenylacetamide
PubChem CID1405125
Molecular FormulaC12H12N4O3S
Molecular Weight292.32 g/mol
Exact Mass292.06
IUPAC Name2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-methyl-N-phenylacetamide
SMILESCN(C(=O)CSc1n[nH]c(=O)[nH]c1=O)c1ccccc1
InChIInChI=1S/C12H12N4O3S/c1-16(8-5-3-2-4-6-8)9(17)7-20-11-10(18)13-12(19)15-14-11/h2-6H,7H2,1H3,(H2,13,15,18,19)
InChIKeyPUJFTTFAOVVBLQ-UHFFFAOYSA-N
XLogP0.21
TPSA98.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-methyl-N-phenylacetamide?
The IUPAC name of 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-methyl-N-phenylacetamide (CID 1405125) is 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-methyl-N-phenylacetamide.
What is the SMILES notation for 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-methyl-N-phenylacetamide?
The canonical SMILES for 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-methyl-N-phenylacetamide is CN(C(=O)CSc1n[nH]c(=O)[nH]c1=O)c1ccccc1.
What is the InChIKey of 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-methyl-N-phenylacetamide?
The InChIKey is PUJFTTFAOVVBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O3S/c1-16(8-5-3-2-4-6-8)9(17)7-20-11-10(18)13-12(19)15-14-11/h2-6H,7H2,1H3,(H2,13,15,18,19).
What are the key properties of 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-methyl-N-phenylacetamide?
2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-methyl-N-phenylacetamide has a molecular weight of 292.32 g/mol, XLogP of 0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-methyl-N-phenylacetamide is sourced from PubChem (CID 1405125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).