azane;5,6-dimethyl-3-methylsulfanyl-1,2,4-triazine

C6H12N4S — CID 175435244

IUPACazane;5,6-dimethyl-3-methylsulfanyl-1,2,4-triazine
SMILESCSc1nnc(C)c(C)n1.N
InChIInChI=1S/C6H9N3S.H3N/c1-4-5(2)8-9-6(7-4)10-3;/h1-3H3;1H3
InChIKeyJYSIMPVSZMLWEW-UHFFFAOYSA-N
MW172.26 g/mol
LogP1.37
Rot. Bonds1

About azane;5,6-dimethyl-3-methylsulfanyl-1,2,4-triazine

azane;5,6-dimethyl-3-methylsulfanyl-1,2,4-triazine (PubChem CID 175435244) has the molecular formula C6H12N4S and a molecular weight of 172.26 g/mol. Its IUPAC name is azane;5,6-dimethyl-3-methylsulfanyl-1,2,4-triazine.

Molecular Properties

Compound Nameazane;5,6-dimethyl-3-methylsulfanyl-1,2,4-triazine
PubChem CID175435244
Molecular FormulaC6H12N4S
Molecular Weight172.26 g/mol
Exact Mass172.08
IUPAC Nameazane;5,6-dimethyl-3-methylsulfanyl-1,2,4-triazine
SMILESCSc1nnc(C)c(C)n1.N
InChIInChI=1S/C6H9N3S.H3N/c1-4-5(2)8-9-6(7-4)10-3;/h1-3H3;1H3
InChIKeyJYSIMPVSZMLWEW-UHFFFAOYSA-N
XLogP1.37
TPSA73.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.26
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of azane;5,6-dimethyl-3-methylsulfanyl-1,2,4-triazine?
The IUPAC name of azane;5,6-dimethyl-3-methylsulfanyl-1,2,4-triazine (CID 175435244) is azane;5,6-dimethyl-3-methylsulfanyl-1,2,4-triazine.
What is the SMILES notation for azane;5,6-dimethyl-3-methylsulfanyl-1,2,4-triazine?
The canonical SMILES for azane;5,6-dimethyl-3-methylsulfanyl-1,2,4-triazine is CSc1nnc(C)c(C)n1.N.
What is the InChIKey of azane;5,6-dimethyl-3-methylsulfanyl-1,2,4-triazine?
The InChIKey is JYSIMPVSZMLWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3S.H3N/c1-4-5(2)8-9-6(7-4)10-3;/h1-3H3;1H3.
What are the key properties of azane;5,6-dimethyl-3-methylsulfanyl-1,2,4-triazine?
azane;5,6-dimethyl-3-methylsulfanyl-1,2,4-triazine has a molecular weight of 172.26 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azane;5,6-dimethyl-3-methylsulfanyl-1,2,4-triazine is sourced from PubChem (CID 175435244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).