2-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]-N,N-dimethylethanesulfonamide

C8H17N7O3S — CID 106341167

IUPAC2-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]-N,N-dimethylethanesulfonamide
SMILESCOc1nc(NN)nc(NCCS(=O)(=O)N(C)C)n1
InChIInChI=1S/C8H17N7O3S/c1-15(2)19(16,17)5-4-10-6-11-7(14-9)13-8(12-6)18-3/h4-5,9H2,1-3H3,(H2,10,11,12,13,14)
InChIKeyPQFBNSMDUYLTFE-UHFFFAOYSA-N
MW291.34 g/mol
LogP-1.53
Rot. Bonds7

About 2-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]-N,N-dimethylethanesulfonamide

2-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]-N,N-dimethylethanesulfonamide (PubChem CID 106341167) has the molecular formula C8H17N7O3S and a molecular weight of 291.34 g/mol. Its IUPAC name is 2-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]-N,N-dimethylethanesulfonamide.

Molecular Properties

Compound Name2-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]-N,N-dimethylethanesulfonamide
PubChem CID106341167
Molecular FormulaC8H17N7O3S
Molecular Weight291.34 g/mol
Exact Mass291.11
IUPAC Name2-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]-N,N-dimethylethanesulfonamide
SMILESCOc1nc(NN)nc(NCCS(=O)(=O)N(C)C)n1
InChIInChI=1S/C8H17N7O3S/c1-15(2)19(16,17)5-4-10-6-11-7(14-9)13-8(12-6)18-3/h4-5,9H2,1-3H3,(H2,10,11,12,13,14)
InChIKeyPQFBNSMDUYLTFE-UHFFFAOYSA-N
XLogP-1.53
TPSA135.36 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 5-1.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]-N,N-dimethylethanesulfonamide with MolForge

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Launch Full Analysis

Related Compounds

4-hydrazinyl-6-methoxy-N-(3-methylsulfonylpropyl)-1,3,5-triazin-2-amine
CID 80903842
N'-cyclopropyl-N-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)-N'-methylethane-1,2-diamine
CID 80918954
4-N-ethyl-6-methoxy-2-N-(2-methylsulfonylethyl)-1,3,5-triazine-2,4-diamine
CID 80790808
2-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]-N,N-dimethylethanesulfonamide
CID 106341615
4-hydrazinyl-6-methoxy-N-(2-methylbutan-2-yl)-1,3,5-triazin-2-amine
CID 80920216
4-hydrazinyl-6-methoxy-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
CID 80943261
N'-cyclopropyl-N'-ethyl-N-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)ethane-1,2-diamine
CID 114133549
2-[[6-hydrazinyl-2-(methoxymethyl)pyrimidin-4-yl]amino]-N,N-dimethylethanesulfonamide
CID 106341151
2-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-N,N-dimethylethanesulfonamide
CID 106343509
4-hydrazinyl-6-methoxy-N-(2-pyrazol-1-ylethyl)-1,3,5-triazin-2-amine
CID 80896292
2-[[4-(diethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]ethanesulfonamide
CID 80906358
4-hydrazinyl-6-methoxy-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1,3,5-triazin-2-amine
CID 106412556

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]-N,N-dimethylethanesulfonamide?
The IUPAC name of 2-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]-N,N-dimethylethanesulfonamide (CID 106341167) is 2-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]-N,N-dimethylethanesulfonamide.
What is the SMILES notation for 2-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]-N,N-dimethylethanesulfonamide?
The canonical SMILES for 2-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]-N,N-dimethylethanesulfonamide is COc1nc(NN)nc(NCCS(=O)(=O)N(C)C)n1.
What is the InChIKey of 2-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]-N,N-dimethylethanesulfonamide?
The InChIKey is PQFBNSMDUYLTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N7O3S/c1-15(2)19(16,17)5-4-10-6-11-7(14-9)13-8(12-6)18-3/h4-5,9H2,1-3H3,(H2,10,11,12,13,14).
What are the key properties of 2-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]-N,N-dimethylethanesulfonamide?
2-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]-N,N-dimethylethanesulfonamide has a molecular weight of 291.34 g/mol, XLogP of -1.53, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]-N,N-dimethylethanesulfonamide is sourced from PubChem (CID 106341167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).