4-hydrazinyl-6-methoxy-N-(3-methylsulfonylpropyl)-1,3,5-triazin-2-amine

C8H16N6O3S — CID 80903842

IUPAC4-hydrazinyl-6-methoxy-N-(3-methylsulfonylpropyl)-1,3,5-triazin-2-amine
SMILESCOc1nc(NN)nc(NCCCS(C)(=O)=O)n1
InChIInChI=1S/C8H16N6O3S/c1-17-8-12-6(11-7(13-8)14-9)10-4-3-5-18(2,15)16/h3-5,9H2,1-2H3,(H2,10,11,12,13,14)
InChIKeyYCRWMLQXJQOZRX-UHFFFAOYSA-N
MW276.32 g/mol
LogP-0.99
Rot. Bonds7

About 4-hydrazinyl-6-methoxy-N-(3-methylsulfonylpropyl)-1,3,5-triazin-2-amine

4-hydrazinyl-6-methoxy-N-(3-methylsulfonylpropyl)-1,3,5-triazin-2-amine (PubChem CID 80903842) has the molecular formula C8H16N6O3S and a molecular weight of 276.32 g/mol. Its IUPAC name is 4-hydrazinyl-6-methoxy-N-(3-methylsulfonylpropyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-hydrazinyl-6-methoxy-N-(3-methylsulfonylpropyl)-1,3,5-triazin-2-amine
PubChem CID80903842
Molecular FormulaC8H16N6O3S
Molecular Weight276.32 g/mol
Exact Mass276.10
IUPAC Name4-hydrazinyl-6-methoxy-N-(3-methylsulfonylpropyl)-1,3,5-triazin-2-amine
SMILESCOc1nc(NN)nc(NCCCS(C)(=O)=O)n1
InChIInChI=1S/C8H16N6O3S/c1-17-8-12-6(11-7(13-8)14-9)10-4-3-5-18(2,15)16/h3-5,9H2,1-2H3,(H2,10,11,12,13,14)
InChIKeyYCRWMLQXJQOZRX-UHFFFAOYSA-N
XLogP-0.99
TPSA132.12 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 5-0.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]-N,N-dimethylethanesulfonamide
CID 106341167
4-N-ethyl-6-methoxy-2-N-(2-methylsulfonylethyl)-1,3,5-triazine-2,4-diamine
CID 80790808
6-ethoxy-2-N-(3-methylsulfonylpropyl)-1,3,5-triazine-2,4-diamine
CID 80812342
N-[3-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]propyl]methanesulfonamide
CID 106332291
N-[2-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]ethyl]methanesulfonamide
CID 80787981
N-[3-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]propyl]methanesulfonamide
CID 106332444
4-chloro-N-(3-methylsulfonylpropyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 62863284
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
4-hydrazinyl-6-methoxy-N-(2-thiophen-2-ylethyl)-1,3,5-triazin-2-amine
CID 80943741
6-methoxy-2-N-(3-methoxypropyl)-1,3,5-triazine-2,4-diamine
CID 80772368
N'-cyclopropyl-N-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)-N'-methylethane-1,2-diamine
CID 80918954

Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyl-6-methoxy-N-(3-methylsulfonylpropyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-hydrazinyl-6-methoxy-N-(3-methylsulfonylpropyl)-1,3,5-triazin-2-amine (CID 80903842) is 4-hydrazinyl-6-methoxy-N-(3-methylsulfonylpropyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-hydrazinyl-6-methoxy-N-(3-methylsulfonylpropyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-hydrazinyl-6-methoxy-N-(3-methylsulfonylpropyl)-1,3,5-triazin-2-amine is COc1nc(NN)nc(NCCCS(C)(=O)=O)n1.
What is the InChIKey of 4-hydrazinyl-6-methoxy-N-(3-methylsulfonylpropyl)-1,3,5-triazin-2-amine?
The InChIKey is YCRWMLQXJQOZRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N6O3S/c1-17-8-12-6(11-7(13-8)14-9)10-4-3-5-18(2,15)16/h3-5,9H2,1-2H3,(H2,10,11,12,13,14).
What are the key properties of 4-hydrazinyl-6-methoxy-N-(3-methylsulfonylpropyl)-1,3,5-triazin-2-amine?
4-hydrazinyl-6-methoxy-N-(3-methylsulfonylpropyl)-1,3,5-triazin-2-amine has a molecular weight of 276.32 g/mol, XLogP of -0.99, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-6-methoxy-N-(3-methylsulfonylpropyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 80903842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).