5-(3,4-difluorophenyl)-3-methylsulfanyl-1,2,4-triazine

C10H7F2N3S — CID 3244755

IUPAC5-(3,4-difluorophenyl)-3-methylsulfanyl-1,2,4-triazine
SMILESCSc1nncc(-c2ccc(F)c(F)c2)n1
InChIInChI=1S/C10H7F2N3S/c1-16-10-14-9(5-13-15-10)6-2-3-7(11)8(12)4-6/h2-5H,1H3
InChIKeyAZHGDHGEYCLYPN-UHFFFAOYSA-N
MW239.25 g/mol
LogP2.54
Rot. Bonds2

About 5-(3,4-difluorophenyl)-3-methylsulfanyl-1,2,4-triazine

5-(3,4-difluorophenyl)-3-methylsulfanyl-1,2,4-triazine (PubChem CID 3244755) has the molecular formula C10H7F2N3S and a molecular weight of 239.25 g/mol. Its IUPAC name is 5-(3,4-difluorophenyl)-3-methylsulfanyl-1,2,4-triazine.

Molecular Properties

Compound Name5-(3,4-difluorophenyl)-3-methylsulfanyl-1,2,4-triazine
PubChem CID3244755
Molecular FormulaC10H7F2N3S
Molecular Weight239.25 g/mol
Exact Mass239.03
IUPAC Name5-(3,4-difluorophenyl)-3-methylsulfanyl-1,2,4-triazine
SMILESCSc1nncc(-c2ccc(F)c(F)c2)n1
InChIInChI=1S/C10H7F2N3S/c1-16-10-14-9(5-13-15-10)6-2-3-7(11)8(12)4-6/h2-5H,1H3
InChIKeyAZHGDHGEYCLYPN-UHFFFAOYSA-N
XLogP2.54
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-difluorophenyl)-3-methylsulfanyl-1,2,4-triazine?
The IUPAC name of 5-(3,4-difluorophenyl)-3-methylsulfanyl-1,2,4-triazine (CID 3244755) is 5-(3,4-difluorophenyl)-3-methylsulfanyl-1,2,4-triazine.
What is the SMILES notation for 5-(3,4-difluorophenyl)-3-methylsulfanyl-1,2,4-triazine?
The canonical SMILES for 5-(3,4-difluorophenyl)-3-methylsulfanyl-1,2,4-triazine is CSc1nncc(-c2ccc(F)c(F)c2)n1.
What is the InChIKey of 5-(3,4-difluorophenyl)-3-methylsulfanyl-1,2,4-triazine?
The InChIKey is AZHGDHGEYCLYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F2N3S/c1-16-10-14-9(5-13-15-10)6-2-3-7(11)8(12)4-6/h2-5H,1H3.
What are the key properties of 5-(3,4-difluorophenyl)-3-methylsulfanyl-1,2,4-triazine?
5-(3,4-difluorophenyl)-3-methylsulfanyl-1,2,4-triazine has a molecular weight of 239.25 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-difluorophenyl)-3-methylsulfanyl-1,2,4-triazine is sourced from PubChem (CID 3244755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).