2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-N-methylethanesulfonamide

C8H15N5O2S — CID 106545836

IUPAC2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-N-methylethanesulfonamide
SMILESCNS(=O)(=O)CCNc1nnc(C)c(C)n1
InChIInChI=1S/C8H15N5O2S/c1-6-7(2)12-13-8(11-6)10-4-5-16(14,15)9-3/h9H,4-5H2,1-3H3,(H,10,11,13)
InChIKeyXROIMVOFMJXDHT-UHFFFAOYSA-N
MW245.31 g/mol
LogP-0.55
Rot. Bonds5

About 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-N-methylethanesulfonamide

2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-N-methylethanesulfonamide (PubChem CID 106545836) has the molecular formula C8H15N5O2S and a molecular weight of 245.31 g/mol. Its IUPAC name is 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-N-methylethanesulfonamide.

Molecular Properties

Compound Name2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-N-methylethanesulfonamide
PubChem CID106545836
Molecular FormulaC8H15N5O2S
Molecular Weight245.31 g/mol
Exact Mass245.09
IUPAC Name2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-N-methylethanesulfonamide
SMILESCNS(=O)(=O)CCNc1nnc(C)c(C)n1
InChIInChI=1S/C8H15N5O2S/c1-6-7(2)12-13-8(11-6)10-4-5-16(14,15)9-3/h9H,4-5H2,1-3H3,(H,10,11,13)
InChIKeyXROIMVOFMJXDHT-UHFFFAOYSA-N
XLogP-0.55
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.31
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5,6-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,2,4-triazin-3-amine
CID 104923911
N-(3-fluoropropyl)-5,6-dimethyl-1,2,4-triazin-3-amine
CID 130504306
N-(5,6-dimethyl-1,2,4-triazin-3-yl)-N',N'-dimethylethane-1,2-diamine
CID 23349917
N-[3-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]propyl]methanesulfonamide
CID 102677387
5,6-dimethyl-N-(2-prop-2-enylsulfanylethyl)-1,2,4-triazin-3-amine
CID 104924082
N-(2-ethylsulfonylethyl)-5,6-dimethyl-1,2,4-triazin-3-amine
CID 104924168
2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-N-ethylethanesulfonamide
CID 104924254
5,6-dimethyl-N-(2-prop-2-ynylsulfanylethyl)-1,2,4-triazin-3-amine
CID 104924411
5,6-dimethyl-N-(thiolan-3-yl)-1,2,4-triazin-3-amine
CID 104924497
5,6-dimethyl-N-(6-methylsulfanylhexyl)-1,2,4-triazin-3-amine
CID 104925329
5,6-dimethyl-N-(5-methylsulfanylpentyl)-1,2,4-triazin-3-amine
CID 104925499
N-[2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]ethyl]methanesulfonamide
CID 105362429

Frequently Asked Questions

What is the IUPAC name of 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-N-methylethanesulfonamide?
The IUPAC name of 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-N-methylethanesulfonamide (CID 106545836) is 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-N-methylethanesulfonamide.
What is the SMILES notation for 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-N-methylethanesulfonamide?
The canonical SMILES for 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-N-methylethanesulfonamide is CNS(=O)(=O)CCNc1nnc(C)c(C)n1.
What is the InChIKey of 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-N-methylethanesulfonamide?
The InChIKey is XROIMVOFMJXDHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O2S/c1-6-7(2)12-13-8(11-6)10-4-5-16(14,15)9-3/h9H,4-5H2,1-3H3,(H,10,11,13).
What are the key properties of 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-N-methylethanesulfonamide?
2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-N-methylethanesulfonamide has a molecular weight of 245.31 g/mol, XLogP of -0.55, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-N-methylethanesulfonamide is sourced from PubChem (CID 106545836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).