6-(2,3-dichlorophenyl)-N-methyl-3-methylsulfanyl-1,2,4-triazin-5-amine

C11H10Cl2N4S — CID 122196529

IUPAC6-(2,3-dichlorophenyl)-N-methyl-3-methylsulfanyl-1,2,4-triazin-5-amine
SMILESCNc1nc(SC)nnc1-c1cccc(Cl)c1Cl
InChIInChI=1S/C11H10Cl2N4S/c1-14-10-9(16-17-11(15-10)18-2)6-4-3-5-7(12)8(6)13/h3-5H,1-2H3,(H,14,15,17)
InChIKeyVFNJTESZINGMOB-UHFFFAOYSA-N
MW301.20 g/mol
LogP3.61
Rot. Bonds3

About 6-(2,3-dichlorophenyl)-N-methyl-3-methylsulfanyl-1,2,4-triazin-5-amine

6-(2,3-dichlorophenyl)-N-methyl-3-methylsulfanyl-1,2,4-triazin-5-amine (PubChem CID 122196529) has the molecular formula C11H10Cl2N4S and a molecular weight of 301.20 g/mol. Its IUPAC name is 6-(2,3-dichlorophenyl)-N-methyl-3-methylsulfanyl-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name6-(2,3-dichlorophenyl)-N-methyl-3-methylsulfanyl-1,2,4-triazin-5-amine
PubChem CID122196529
Molecular FormulaC11H10Cl2N4S
Molecular Weight301.20 g/mol
Exact Mass300.00
IUPAC Name6-(2,3-dichlorophenyl)-N-methyl-3-methylsulfanyl-1,2,4-triazin-5-amine
SMILESCNc1nc(SC)nnc1-c1cccc(Cl)c1Cl
InChIInChI=1S/C11H10Cl2N4S/c1-14-10-9(16-17-11(15-10)18-2)6-4-3-5-7(12)8(6)13/h3-5H,1-2H3,(H,14,15,17)
InChIKeyVFNJTESZINGMOB-UHFFFAOYSA-N
XLogP3.61
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.20
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dichlorophenyl)-N-methyl-3-methylsulfanyl-1,2,4-triazin-5-amine?
The IUPAC name of 6-(2,3-dichlorophenyl)-N-methyl-3-methylsulfanyl-1,2,4-triazin-5-amine (CID 122196529) is 6-(2,3-dichlorophenyl)-N-methyl-3-methylsulfanyl-1,2,4-triazin-5-amine.
What is the SMILES notation for 6-(2,3-dichlorophenyl)-N-methyl-3-methylsulfanyl-1,2,4-triazin-5-amine?
The canonical SMILES for 6-(2,3-dichlorophenyl)-N-methyl-3-methylsulfanyl-1,2,4-triazin-5-amine is CNc1nc(SC)nnc1-c1cccc(Cl)c1Cl.
What is the InChIKey of 6-(2,3-dichlorophenyl)-N-methyl-3-methylsulfanyl-1,2,4-triazin-5-amine?
The InChIKey is VFNJTESZINGMOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N4S/c1-14-10-9(16-17-11(15-10)18-2)6-4-3-5-7(12)8(6)13/h3-5H,1-2H3,(H,14,15,17).
What are the key properties of 6-(2,3-dichlorophenyl)-N-methyl-3-methylsulfanyl-1,2,4-triazin-5-amine?
6-(2,3-dichlorophenyl)-N-methyl-3-methylsulfanyl-1,2,4-triazin-5-amine has a molecular weight of 301.20 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dichlorophenyl)-N-methyl-3-methylsulfanyl-1,2,4-triazin-5-amine is sourced from PubChem (CID 122196529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).