5,6-dimethyl-N-(2-methylsulfinylethyl)-1,2,4-triazin-3-amine

C8H14N4OS — CID 114448572

IUPAC5,6-dimethyl-N-(2-methylsulfinylethyl)-1,2,4-triazin-3-amine
SMILESCc1nnc(NCCS(C)=O)nc1C
InChIInChI=1S/C8H14N4OS/c1-6-7(2)11-12-8(10-6)9-4-5-14(3)13/h4-5H2,1-3H3,(H,9,10,12)
InChIKeyVJKVFSUDADNZMK-UHFFFAOYSA-N
MW214.29 g/mol
LogP0.28
Rot. Bonds4

About 5,6-dimethyl-N-(2-methylsulfinylethyl)-1,2,4-triazin-3-amine

5,6-dimethyl-N-(2-methylsulfinylethyl)-1,2,4-triazin-3-amine (PubChem CID 114448572) has the molecular formula C8H14N4OS and a molecular weight of 214.29 g/mol. Its IUPAC name is 5,6-dimethyl-N-(2-methylsulfinylethyl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5,6-dimethyl-N-(2-methylsulfinylethyl)-1,2,4-triazin-3-amine
PubChem CID114448572
Molecular FormulaC8H14N4OS
Molecular Weight214.29 g/mol
Exact Mass214.09
IUPAC Name5,6-dimethyl-N-(2-methylsulfinylethyl)-1,2,4-triazin-3-amine
SMILESCc1nnc(NCCS(C)=O)nc1C
InChIInChI=1S/C8H14N4OS/c1-6-7(2)11-12-8(10-6)9-4-5-14(3)13/h4-5H2,1-3H3,(H,9,10,12)
InChIKeyVJKVFSUDADNZMK-UHFFFAOYSA-N
XLogP0.28
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-N-(2-methylsulfinylethyl)-1,2,4-triazin-3-amine?
The IUPAC name of 5,6-dimethyl-N-(2-methylsulfinylethyl)-1,2,4-triazin-3-amine (CID 114448572) is 5,6-dimethyl-N-(2-methylsulfinylethyl)-1,2,4-triazin-3-amine.
What is the SMILES notation for 5,6-dimethyl-N-(2-methylsulfinylethyl)-1,2,4-triazin-3-amine?
The canonical SMILES for 5,6-dimethyl-N-(2-methylsulfinylethyl)-1,2,4-triazin-3-amine is Cc1nnc(NCCS(C)=O)nc1C.
What is the InChIKey of 5,6-dimethyl-N-(2-methylsulfinylethyl)-1,2,4-triazin-3-amine?
The InChIKey is VJKVFSUDADNZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4OS/c1-6-7(2)11-12-8(10-6)9-4-5-14(3)13/h4-5H2,1-3H3,(H,9,10,12).
What are the key properties of 5,6-dimethyl-N-(2-methylsulfinylethyl)-1,2,4-triazin-3-amine?
5,6-dimethyl-N-(2-methylsulfinylethyl)-1,2,4-triazin-3-amine has a molecular weight of 214.29 g/mol, XLogP of 0.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-N-(2-methylsulfinylethyl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 114448572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).