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

C9H16N4O2S — CID 104924168

IUPACN-(2-ethylsulfonylethyl)-5,6-dimethyl-1,2,4-triazin-3-amine
SMILESCCS(=O)(=O)CCNc1nnc(C)c(C)n1
InChIInChI=1S/C9H16N4O2S/c1-4-16(14,15)6-5-10-9-11-7(2)8(3)12-13-9/h4-6H2,1-3H3,(H,10,11,13)
InChIKeyVRRWMZWGXWPYMI-UHFFFAOYSA-N
MW244.32 g/mol
LogP0.34
Rot. Bonds5

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

N-(2-ethylsulfonylethyl)-5,6-dimethyl-1,2,4-triazin-3-amine (PubChem CID 104924168) has the molecular formula C9H16N4O2S and a molecular weight of 244.32 g/mol. Its IUPAC name is N-(2-ethylsulfonylethyl)-5,6-dimethyl-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-(2-ethylsulfonylethyl)-5,6-dimethyl-1,2,4-triazin-3-amine
PubChem CID104924168
Molecular FormulaC9H16N4O2S
Molecular Weight244.32 g/mol
Exact Mass244.10
IUPAC NameN-(2-ethylsulfonylethyl)-5,6-dimethyl-1,2,4-triazin-3-amine
SMILESCCS(=O)(=O)CCNc1nnc(C)c(C)n1
InChIInChI=1S/C9H16N4O2S/c1-4-16(14,15)6-5-10-9-11-7(2)8(3)12-13-9/h4-6H2,1-3H3,(H,10,11,13)
InChIKeyVRRWMZWGXWPYMI-UHFFFAOYSA-N
XLogP0.34
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfonylethyl)-5,6-dimethyl-1,2,4-triazin-3-amine?
The IUPAC name of N-(2-ethylsulfonylethyl)-5,6-dimethyl-1,2,4-triazin-3-amine (CID 104924168) is N-(2-ethylsulfonylethyl)-5,6-dimethyl-1,2,4-triazin-3-amine.
What is the SMILES notation for N-(2-ethylsulfonylethyl)-5,6-dimethyl-1,2,4-triazin-3-amine?
The canonical SMILES for N-(2-ethylsulfonylethyl)-5,6-dimethyl-1,2,4-triazin-3-amine is CCS(=O)(=O)CCNc1nnc(C)c(C)n1.
What is the InChIKey of N-(2-ethylsulfonylethyl)-5,6-dimethyl-1,2,4-triazin-3-amine?
The InChIKey is VRRWMZWGXWPYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2S/c1-4-16(14,15)6-5-10-9-11-7(2)8(3)12-13-9/h4-6H2,1-3H3,(H,10,11,13).
What are the key properties of N-(2-ethylsulfonylethyl)-5,6-dimethyl-1,2,4-triazin-3-amine?
N-(2-ethylsulfonylethyl)-5,6-dimethyl-1,2,4-triazin-3-amine has a molecular weight of 244.32 g/mol, XLogP of 0.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfonylethyl)-5,6-dimethyl-1,2,4-triazin-3-amine is sourced from PubChem (CID 104924168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).