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

C12H13N5O2S — CID 7196632

IUPAC2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-phenylacetamide
SMILESCc1nnc(SCC(=O)Nc2ccccc2)n(N)c1=O
InChIInChI=1S/C12H13N5O2S/c1-8-11(19)17(13)12(16-15-8)20-7-10(18)14-9-5-3-2-4-6-9/h2-6H,7,13H2,1H3,(H,14,18)
InChIKeyKRXPOHIDFWUIJM-UHFFFAOYSA-N
MW291.34 g/mol
LogP0.39
Rot. Bonds4

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

2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-phenylacetamide (PubChem CID 7196632) has the molecular formula C12H13N5O2S and a molecular weight of 291.34 g/mol. Its IUPAC name is 2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-phenylacetamide
PubChem CID7196632
Molecular FormulaC12H13N5O2S
Molecular Weight291.34 g/mol
Exact Mass291.08
IUPAC Name2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-phenylacetamide
SMILESCc1nnc(SCC(=O)Nc2ccccc2)n(N)c1=O
InChIInChI=1S/C12H13N5O2S/c1-8-11(19)17(13)12(16-15-8)20-7-10(18)14-9-5-3-2-4-6-9/h2-6H,7,13H2,1H3,(H,14,18)
InChIKeyKRXPOHIDFWUIJM-UHFFFAOYSA-N
XLogP0.39
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 50.39
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-phenylacetamide?
The IUPAC name of 2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-phenylacetamide (CID 7196632) is 2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-phenylacetamide.
What is the SMILES notation for 2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-phenylacetamide?
The canonical SMILES for 2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-phenylacetamide is Cc1nnc(SCC(=O)Nc2ccccc2)n(N)c1=O.
What is the InChIKey of 2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-phenylacetamide?
The InChIKey is KRXPOHIDFWUIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O2S/c1-8-11(19)17(13)12(16-15-8)20-7-10(18)14-9-5-3-2-4-6-9/h2-6H,7,13H2,1H3,(H,14,18).
What are the key properties of 2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-phenylacetamide?
2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-phenylacetamide has a molecular weight of 291.34 g/mol, XLogP of 0.39, 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-phenylacetamide is sourced from PubChem (CID 7196632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).