2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(2,4-dimethylphenyl)acetamide

C14H17N5O2S — CID 853533

IUPAC2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(2,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)CSc2nnc(C)c(=O)n2N)c(C)c1
InChIInChI=1S/C14H17N5O2S/c1-8-4-5-11(9(2)6-8)16-12(20)7-22-14-18-17-10(3)13(21)19(14)15/h4-6H,7,15H2,1-3H3,(H,16,20)
InChIKeyXOIVWBIVVFVQEU-UHFFFAOYSA-N
MW319.39 g/mol
LogP1.01
Rot. Bonds4

About 2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(2,4-dimethylphenyl)acetamide

2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(2,4-dimethylphenyl)acetamide (PubChem CID 853533) has the molecular formula C14H17N5O2S and a molecular weight of 319.39 g/mol. Its IUPAC name is 2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(2,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(2,4-dimethylphenyl)acetamide
PubChem CID853533
Molecular FormulaC14H17N5O2S
Molecular Weight319.39 g/mol
Exact Mass319.11
IUPAC Name2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(2,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)CSc2nnc(C)c(=O)n2N)c(C)c1
InChIInChI=1S/C14H17N5O2S/c1-8-4-5-11(9(2)6-8)16-12(20)7-22-14-18-17-10(3)13(21)19(14)15/h4-6H,7,15H2,1-3H3,(H,16,20)
InChIKeyXOIVWBIVVFVQEU-UHFFFAOYSA-N
XLogP1.01
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(2,4-dimethylphenyl)acetamide?
The IUPAC name of 2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(2,4-dimethylphenyl)acetamide (CID 853533) is 2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(2,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(2,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(2,4-dimethylphenyl)acetamide is Cc1ccc(NC(=O)CSc2nnc(C)c(=O)n2N)c(C)c1.
What is the InChIKey of 2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(2,4-dimethylphenyl)acetamide?
The InChIKey is XOIVWBIVVFVQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2S/c1-8-4-5-11(9(2)6-8)16-12(20)7-22-14-18-17-10(3)13(21)19(14)15/h4-6H,7,15H2,1-3H3,(H,16,20).
What are the key properties of 2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(2,4-dimethylphenyl)acetamide?
2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(2,4-dimethylphenyl)acetamide has a molecular weight of 319.39 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(2,4-dimethylphenyl)acetamide is sourced from PubChem (CID 853533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).