3-ethylsulfanyl-5-(3-ethylsulfanyl-1,2,4-triazin-5-yl)-1,2,4-triazine

C10H12N6S2 — CID 52940925

IUPAC3-ethylsulfanyl-5-(3-ethylsulfanyl-1,2,4-triazin-5-yl)-1,2,4-triazine
SMILESCCSc1nncc(-c2cnnc(SCC)n2)n1
InChIInChI=1S/C10H12N6S2/c1-3-17-9-13-7(5-11-15-9)8-6-12-16-10(14-8)18-4-2/h5-6H,3-4H2,1-2H3
InChIKeyAPQZYWUDYDMQHK-UHFFFAOYSA-N
MW280.38 g/mol
LogP1.95
Rot. Bonds5

About 3-ethylsulfanyl-5-(3-ethylsulfanyl-1,2,4-triazin-5-yl)-1,2,4-triazine

3-ethylsulfanyl-5-(3-ethylsulfanyl-1,2,4-triazin-5-yl)-1,2,4-triazine (PubChem CID 52940925) has the molecular formula C10H12N6S2 and a molecular weight of 280.38 g/mol. Its IUPAC name is 3-ethylsulfanyl-5-(3-ethylsulfanyl-1,2,4-triazin-5-yl)-1,2,4-triazine.

Molecular Properties

Compound Name3-ethylsulfanyl-5-(3-ethylsulfanyl-1,2,4-triazin-5-yl)-1,2,4-triazine
PubChem CID52940925
Molecular FormulaC10H12N6S2
Molecular Weight280.38 g/mol
Exact Mass280.06
IUPAC Name3-ethylsulfanyl-5-(3-ethylsulfanyl-1,2,4-triazin-5-yl)-1,2,4-triazine
SMILESCCSc1nncc(-c2cnnc(SCC)n2)n1
InChIInChI=1S/C10H12N6S2/c1-3-17-9-13-7(5-11-15-9)8-6-12-16-10(14-8)18-4-2/h5-6H,3-4H2,1-2H3
InChIKeyAPQZYWUDYDMQHK-UHFFFAOYSA-N
XLogP1.95
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfanyl-5-(3-ethylsulfanyl-1,2,4-triazin-5-yl)-1,2,4-triazine?
The IUPAC name of 3-ethylsulfanyl-5-(3-ethylsulfanyl-1,2,4-triazin-5-yl)-1,2,4-triazine (CID 52940925) is 3-ethylsulfanyl-5-(3-ethylsulfanyl-1,2,4-triazin-5-yl)-1,2,4-triazine.
What is the SMILES notation for 3-ethylsulfanyl-5-(3-ethylsulfanyl-1,2,4-triazin-5-yl)-1,2,4-triazine?
The canonical SMILES for 3-ethylsulfanyl-5-(3-ethylsulfanyl-1,2,4-triazin-5-yl)-1,2,4-triazine is CCSc1nncc(-c2cnnc(SCC)n2)n1.
What is the InChIKey of 3-ethylsulfanyl-5-(3-ethylsulfanyl-1,2,4-triazin-5-yl)-1,2,4-triazine?
The InChIKey is APQZYWUDYDMQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6S2/c1-3-17-9-13-7(5-11-15-9)8-6-12-16-10(14-8)18-4-2/h5-6H,3-4H2,1-2H3.
What are the key properties of 3-ethylsulfanyl-5-(3-ethylsulfanyl-1,2,4-triazin-5-yl)-1,2,4-triazine?
3-ethylsulfanyl-5-(3-ethylsulfanyl-1,2,4-triazin-5-yl)-1,2,4-triazine has a molecular weight of 280.38 g/mol, XLogP of 1.95, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfanyl-5-(3-ethylsulfanyl-1,2,4-triazin-5-yl)-1,2,4-triazine is sourced from PubChem (CID 52940925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).