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

C14H16N4O2S — CID 135437936

IUPACN-(2,6-dimethylphenyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide
SMILESCc1cccc(C)c1NC(=O)CSc1nnc(C)c(=O)[nH]1
InChIInChI=1S/C14H16N4O2S/c1-8-5-4-6-9(2)12(8)15-11(19)7-21-14-16-13(20)10(3)17-18-14/h4-6H,7H2,1-3H3,(H,15,19)(H,16,18,20)
InChIKeyMWNRZNBPOILYQH-UHFFFAOYSA-N
MW304.38 g/mol
LogP1.82
Rot. Bonds4

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

N-(2,6-dimethylphenyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide (PubChem CID 135437936) has the molecular formula C14H16N4O2S and a molecular weight of 304.38 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide
PubChem CID135437936
Molecular FormulaC14H16N4O2S
Molecular Weight304.38 g/mol
Exact Mass304.10
IUPAC NameN-(2,6-dimethylphenyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide
SMILESCc1cccc(C)c1NC(=O)CSc1nnc(C)c(=O)[nH]1
InChIInChI=1S/C14H16N4O2S/c1-8-5-4-6-9(2)12(8)15-11(19)7-21-14-16-13(20)10(3)17-18-14/h4-6H,7H2,1-3H3,(H,15,19)(H,16,18,20)
InChIKeyMWNRZNBPOILYQH-UHFFFAOYSA-N
XLogP1.82
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide (CID 135437936) is N-(2,6-dimethylphenyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide is Cc1cccc(C)c1NC(=O)CSc1nnc(C)c(=O)[nH]1.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide?
The InChIKey is MWNRZNBPOILYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2S/c1-8-5-4-6-9(2)12(8)15-11(19)7-21-14-16-13(20)10(3)17-18-14/h4-6H,7H2,1-3H3,(H,15,19)(H,16,18,20).
What are the key properties of N-(2,6-dimethylphenyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide?
N-(2,6-dimethylphenyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide has a molecular weight of 304.38 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 135437936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).