2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide

C14H17N5O2S — CID 18580850

IUPAC2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide
SMILESCC(C)N(C(=O)CSc1nncc(=O)n1N)c1ccccc1
InChIInChI=1S/C14H17N5O2S/c1-10(2)18(11-6-4-3-5-7-11)13(21)9-22-14-17-16-8-12(20)19(14)15/h3-8,10H,9,15H2,1-2H3
InChIKeyOOFWANACCQCWKS-UHFFFAOYSA-N
MW319.39 g/mol
LogP0.89
Rot. Bonds5

About 2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide

2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide (PubChem CID 18580850) has the molecular formula C14H17N5O2S and a molecular weight of 319.39 g/mol. Its IUPAC name is 2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide
PubChem CID18580850
Molecular FormulaC14H17N5O2S
Molecular Weight319.39 g/mol
Exact Mass319.11
IUPAC Name2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide
SMILESCC(C)N(C(=O)CSc1nncc(=O)n1N)c1ccccc1
InChIInChI=1S/C14H17N5O2S/c1-10(2)18(11-6-4-3-5-7-11)13(21)9-22-14-17-16-8-12(20)19(14)15/h3-8,10H,9,15H2,1-2H3
InChIKeyOOFWANACCQCWKS-UHFFFAOYSA-N
XLogP0.89
TPSA94.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide?
The IUPAC name of 2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide (CID 18580850) is 2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide is CC(C)N(C(=O)CSc1nncc(=O)n1N)c1ccccc1.
What is the InChIKey of 2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide?
The InChIKey is OOFWANACCQCWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2S/c1-10(2)18(11-6-4-3-5-7-11)13(21)9-22-14-17-16-8-12(20)19(14)15/h3-8,10H,9,15H2,1-2H3.
What are the key properties of 2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide?
2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide has a molecular weight of 319.39 g/mol, XLogP of 0.89, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide is sourced from PubChem (CID 18580850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).