2-[(5,6-dimethyl-1,2,4-triazin-3-yl)sulfanyl]-N-(3-methylphenyl)acetamide

C14H16N4OS — CID 6401520

IUPAC2-[(5,6-dimethyl-1,2,4-triazin-3-yl)sulfanyl]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CSc2nnc(C)c(C)n2)c1
InChIInChI=1S/C14H16N4OS/c1-9-5-4-6-12(7-9)16-13(19)8-20-14-15-10(2)11(3)17-18-14/h4-7H,8H2,1-3H3,(H,16,19)
InChIKeyBAUOYSQOXTVSFW-UHFFFAOYSA-N
MW288.38 g/mol
LogP2.53
Rot. Bonds4

About 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)sulfanyl]-N-(3-methylphenyl)acetamide

2-[(5,6-dimethyl-1,2,4-triazin-3-yl)sulfanyl]-N-(3-methylphenyl)acetamide (PubChem CID 6401520) has the molecular formula C14H16N4OS and a molecular weight of 288.38 g/mol. Its IUPAC name is 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)sulfanyl]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(5,6-dimethyl-1,2,4-triazin-3-yl)sulfanyl]-N-(3-methylphenyl)acetamide
PubChem CID6401520
Molecular FormulaC14H16N4OS
Molecular Weight288.38 g/mol
Exact Mass288.10
IUPAC Name2-[(5,6-dimethyl-1,2,4-triazin-3-yl)sulfanyl]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CSc2nnc(C)c(C)n2)c1
InChIInChI=1S/C14H16N4OS/c1-9-5-4-6-12(7-9)16-13(19)8-20-14-15-10(2)11(3)17-18-14/h4-7H,8H2,1-3H3,(H,16,19)
InChIKeyBAUOYSQOXTVSFW-UHFFFAOYSA-N
XLogP2.53
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)sulfanyl]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)sulfanyl]-N-(3-methylphenyl)acetamide (CID 6401520) is 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)sulfanyl]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)sulfanyl]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)sulfanyl]-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)CSc2nnc(C)c(C)n2)c1.
What is the InChIKey of 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)sulfanyl]-N-(3-methylphenyl)acetamide?
The InChIKey is BAUOYSQOXTVSFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4OS/c1-9-5-4-6-12(7-9)16-13(19)8-20-14-15-10(2)11(3)17-18-14/h4-7H,8H2,1-3H3,(H,16,19).
What are the key properties of 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)sulfanyl]-N-(3-methylphenyl)acetamide?
2-[(5,6-dimethyl-1,2,4-triazin-3-yl)sulfanyl]-N-(3-methylphenyl)acetamide has a molecular weight of 288.38 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)sulfanyl]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 6401520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).