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

C15H19N5O2S — CID 7387917

IUPAC2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide
SMILESCc1nnc(SCC(=O)N(c2ccccc2)C(C)C)n(N)c1=O
InChIInChI=1S/C15H19N5O2S/c1-10(2)19(12-7-5-4-6-8-12)13(21)9-23-15-18-17-11(3)14(22)20(15)16/h4-8,10H,9,16H2,1-3H3
InChIKeyUSZIJNVXNMLVSS-UHFFFAOYSA-N
MW333.42 g/mol
LogP1.19
Rot. Bonds5

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

2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide (PubChem CID 7387917) has the molecular formula C15H19N5O2S and a molecular weight of 333.42 g/mol. Its IUPAC name is 2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide
PubChem CID7387917
Molecular FormulaC15H19N5O2S
Molecular Weight333.42 g/mol
Exact Mass333.13
IUPAC Name2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide
SMILESCc1nnc(SCC(=O)N(c2ccccc2)C(C)C)n(N)c1=O
InChIInChI=1S/C15H19N5O2S/c1-10(2)19(12-7-5-4-6-8-12)13(21)9-23-15-18-17-11(3)14(22)20(15)16/h4-8,10H,9,16H2,1-3H3
InChIKeyUSZIJNVXNMLVSS-UHFFFAOYSA-N
XLogP1.19
TPSA94.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 51.19
H-Bond Donors ≤ 51
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-phenyl-N-propan-2-ylacetamide?
The IUPAC name of 2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide (CID 7387917) is 2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide is Cc1nnc(SCC(=O)N(c2ccccc2)C(C)C)n(N)c1=O.
What is the InChIKey of 2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide?
The InChIKey is USZIJNVXNMLVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2S/c1-10(2)19(12-7-5-4-6-8-12)13(21)9-23-15-18-17-11(3)14(22)20(15)16/h4-8,10H,9,16H2,1-3H3.
What are the key properties of 2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide?
2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide has a molecular weight of 333.42 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 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-phenyl-N-propan-2-ylacetamide is sourced from PubChem (CID 7387917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).