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

C11H11ClN6O2S — CID 4842788

IUPAC2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(5-chloro-2-pyridinyl)acetamide
SMILESCc1nnc(SCC(=O)Nc2ccc(Cl)cn2)n(N)c1=O
InChIInChI=1S/C11H11ClN6O2S/c1-6-10(20)18(13)11(17-16-6)21-5-9(19)15-8-3-2-7(12)4-14-8/h2-4H,5,13H2,1H3,(H,14,15,19)
InChIKeyYCRDEQSFZXIGPZ-UHFFFAOYSA-N
MW326.77 g/mol
LogP0.44
Rot. Bonds4

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

2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(5-chloro-2-pyridinyl)acetamide (PubChem CID 4842788) has the molecular formula C11H11ClN6O2S and a molecular weight of 326.77 g/mol. Its IUPAC name is 2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(5-chloro-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(5-chloro-2-pyridinyl)acetamide
PubChem CID4842788
Molecular FormulaC11H11ClN6O2S
Molecular Weight326.77 g/mol
Exact Mass326.04
IUPAC Name2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(5-chloro-2-pyridinyl)acetamide
SMILESCc1nnc(SCC(=O)Nc2ccc(Cl)cn2)n(N)c1=O
InChIInChI=1S/C11H11ClN6O2S/c1-6-10(20)18(13)11(17-16-6)21-5-9(19)15-8-3-2-7(12)4-14-8/h2-4H,5,13H2,1H3,(H,14,15,19)
InChIKeyYCRDEQSFZXIGPZ-UHFFFAOYSA-N
XLogP0.44
TPSA115.79 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.77
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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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-(5-chloro-2-pyridinyl)acetamide?
The IUPAC name of 2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(5-chloro-2-pyridinyl)acetamide (CID 4842788) is 2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(5-chloro-2-pyridinyl)acetamide.
What is the SMILES notation for 2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(5-chloro-2-pyridinyl)acetamide?
The canonical SMILES for 2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(5-chloro-2-pyridinyl)acetamide is Cc1nnc(SCC(=O)Nc2ccc(Cl)cn2)n(N)c1=O.
What is the InChIKey of 2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(5-chloro-2-pyridinyl)acetamide?
The InChIKey is YCRDEQSFZXIGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN6O2S/c1-6-10(20)18(13)11(17-16-6)21-5-9(19)15-8-3-2-7(12)4-14-8/h2-4H,5,13H2,1H3,(H,14,15,19).
What are the key properties of 2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(5-chloro-2-pyridinyl)acetamide?
2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(5-chloro-2-pyridinyl)acetamide has a molecular weight of 326.77 g/mol, XLogP of 0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 8 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-(5-chloro-2-pyridinyl)acetamide is sourced from PubChem (CID 4842788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).