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

C11H9Cl2N5O2S — CID 7387896

IUPAC2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(2,6-dichlorophenyl)acetamide
SMILESNn1c(SCC(=O)Nc2c(Cl)cccc2Cl)nncc1=O
InChIInChI=1S/C11H9Cl2N5O2S/c12-6-2-1-3-7(13)10(6)16-8(19)5-21-11-17-15-4-9(20)18(11)14/h1-4H,5,14H2,(H,16,19)
InChIKeyQAOGVIXVRZQTLV-UHFFFAOYSA-N
MW346.20 g/mol
LogP1.39
Rot. Bonds4

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

2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(2,6-dichlorophenyl)acetamide (PubChem CID 7387896) has the molecular formula C11H9Cl2N5O2S and a molecular weight of 346.20 g/mol. Its IUPAC name is 2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(2,6-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(2,6-dichlorophenyl)acetamide
PubChem CID7387896
Molecular FormulaC11H9Cl2N5O2S
Molecular Weight346.20 g/mol
Exact Mass344.99
IUPAC Name2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(2,6-dichlorophenyl)acetamide
SMILESNn1c(SCC(=O)Nc2c(Cl)cccc2Cl)nncc1=O
InChIInChI=1S/C11H9Cl2N5O2S/c12-6-2-1-3-7(13)10(6)16-8(19)5-21-11-17-15-4-9(20)18(11)14/h1-4H,5,14H2,(H,16,19)
InChIKeyQAOGVIXVRZQTLV-UHFFFAOYSA-N
XLogP1.39
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.20
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(2,6-dichlorophenyl)acetamide?
The IUPAC name of 2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(2,6-dichlorophenyl)acetamide (CID 7387896) is 2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(2,6-dichlorophenyl)acetamide.
What is the SMILES notation for 2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(2,6-dichlorophenyl)acetamide?
The canonical SMILES for 2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(2,6-dichlorophenyl)acetamide is Nn1c(SCC(=O)Nc2c(Cl)cccc2Cl)nncc1=O.
What is the InChIKey of 2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(2,6-dichlorophenyl)acetamide?
The InChIKey is QAOGVIXVRZQTLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N5O2S/c12-6-2-1-3-7(13)10(6)16-8(19)5-21-11-17-15-4-9(20)18(11)14/h1-4H,5,14H2,(H,16,19).
What are the key properties of 2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(2,6-dichlorophenyl)acetamide?
2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(2,6-dichlorophenyl)acetamide has a molecular weight of 346.20 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(2,6-dichlorophenyl)acetamide is sourced from PubChem (CID 7387896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).