N-[3-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]propyl]methanesulfonamide

C10H21N7O3S — CID 106332444

IUPACN-[3-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]propyl]methanesulfonamide
SMILESCCCOc1nc(NN)nc(NCCCNS(C)(=O)=O)n1
InChIInChI=1S/C10H21N7O3S/c1-3-7-20-10-15-8(14-9(16-10)17-11)12-5-4-6-13-21(2,18)19/h13H,3-7,11H2,1-2H3,(H2,12,14,15,16,17)
InChIKeyARBRVDDKABEPNN-UHFFFAOYSA-N
MW319.39 g/mol
LogP-0.70
Rot. Bonds10

About N-[3-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]propyl]methanesulfonamide

N-[3-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]propyl]methanesulfonamide (PubChem CID 106332444) has the molecular formula C10H21N7O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is N-[3-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]propyl]methanesulfonamide
PubChem CID106332444
Molecular FormulaC10H21N7O3S
Molecular Weight319.39 g/mol
Exact Mass319.14
IUPAC NameN-[3-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]propyl]methanesulfonamide
SMILESCCCOc1nc(NN)nc(NCCCNS(C)(=O)=O)n1
InChIInChI=1S/C10H21N7O3S/c1-3-7-20-10-15-8(14-9(16-10)17-11)12-5-4-6-13-21(2,18)19/h13H,3-7,11H2,1-2H3,(H2,12,14,15,16,17)
InChIKeyARBRVDDKABEPNN-UHFFFAOYSA-N
XLogP-0.70
TPSA144.15 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 5-0.70
H-Bond Donors ≤ 54
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'}

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

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Related Compounds

4-hydrazinyl-N-pentyl-6-propoxy-1,3,5-triazin-2-amine
CID 80932221
4-hydrazinyl-N-(2-methylsulfanylethyl)-6-propoxy-1,3,5-triazin-2-amine
CID 80911461
4-hydrazinyl-6-propoxy-N-(4,4,4-trifluorobutyl)-1,3,5-triazin-2-amine
CID 115523299
4-hydrazinyl-N-(5-methylhexyl)-6-propoxy-1,3,5-triazin-2-amine
CID 115327810
N-(2-ethoxyethyl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine
CID 80906653
N-[3-[(4-methyl-6-propoxypyrimidin-2-yl)amino]propyl]methanesulfonamide
CID 106337209
N-[3-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]propyl]methanesulfonamide
CID 106332291
4-ethoxy-6-hydrazinyl-N-(3-propoxypropyl)-1,3,5-triazin-2-amine
CID 82947451
3-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]propane-1-sulfonamide
CID 62862604
2-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]ethanesulfonamide
CID 80787478
4-hydrazinyl-6-methoxy-N-(3-methylsulfonylpropyl)-1,3,5-triazin-2-amine
CID 80903842
3-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]-2-methylpropane-1,2-diol
CID 80922470

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]propyl]methanesulfonamide?
The IUPAC name of N-[3-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]propyl]methanesulfonamide (CID 106332444) is N-[3-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]propyl]methanesulfonamide.
What is the SMILES notation for N-[3-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]propyl]methanesulfonamide?
The canonical SMILES for N-[3-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]propyl]methanesulfonamide is CCCOc1nc(NN)nc(NCCCNS(C)(=O)=O)n1.
What is the InChIKey of N-[3-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]propyl]methanesulfonamide?
The InChIKey is ARBRVDDKABEPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N7O3S/c1-3-7-20-10-15-8(14-9(16-10)17-11)12-5-4-6-13-21(2,18)19/h13H,3-7,11H2,1-2H3,(H2,12,14,15,16,17).
What are the key properties of N-[3-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]propyl]methanesulfonamide?
N-[3-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]propyl]methanesulfonamide has a molecular weight of 319.39 g/mol, XLogP of -0.70, 10 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]propyl]methanesulfonamide is sourced from PubChem (CID 106332444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).