sulfuric acid;1,4,7-trimethyl-1,4,7-triazonane

C9H23N3O4S — CID 67593861

IUPACsulfuric acid;1,4,7-trimethyl-1,4,7-triazonane
SMILESCN1CCN(C)CCN(C)CC1.O=S(=O)(O)O
InChIInChI=1S/C9H21N3.H2O4S/c1-10-4-6-11(2)8-9-12(3)7-5-10;1-5(2,3)4/h4-9H2,1-3H3;(H2,1,2,3,4)
InChIKeyCGDSLSBXLOWUCF-UHFFFAOYSA-N
MW269.37 g/mol
LogP-0.86
Rot. Bonds

About sulfuric acid;1,4,7-trimethyl-1,4,7-triazonane

sulfuric acid;1,4,7-trimethyl-1,4,7-triazonane (PubChem CID 67593861) has the molecular formula C9H23N3O4S and a molecular weight of 269.37 g/mol. Its IUPAC name is sulfuric acid;1,4,7-trimethyl-1,4,7-triazonane.

Molecular Properties

Compound Namesulfuric acid;1,4,7-trimethyl-1,4,7-triazonane
PubChem CID67593861
Molecular FormulaC9H23N3O4S
Molecular Weight269.37 g/mol
Exact Mass269.14
IUPAC Namesulfuric acid;1,4,7-trimethyl-1,4,7-triazonane
SMILESCN1CCN(C)CCN(C)CC1.O=S(=O)(O)O
InChIInChI=1S/C9H21N3.H2O4S/c1-10-4-6-11(2)8-9-12(3)7-5-10;1-5(2,3)4/h4-9H2,1-3H3;(H2,1,2,3,4)
InChIKeyCGDSLSBXLOWUCF-UHFFFAOYSA-N
XLogP-0.86
TPSA84.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze sulfuric acid;1,4,7-trimethyl-1,4,7-triazonane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methylmorpholine;sulfuric acid
CID 146295231
1-methylpiperidin-4-one;sulfuric acid
CID 155024091
hydrogen sulfate;1,4,7-trimethyl-1,4,7-triazonan-1-ium
CID 10967555
4-methylpiperazine-1-sulfonamide
CID 14326005
1,4-dimethylpiperazine;ethane
CID 91292414
4-(4-methylpiperazin-1-yl)butane-2-sulfonic acid
CID 162768612
1-(4-methylpiperazin-1-yl)ethanone
CID 550758
methanol;sulfuric acid
CID 174902694
alumane;sulfuric acid;vanadium
CID 174978121
azane;sulfuric acid;vanadium
CID 174940047
ethane;sulfuric acid
CID 174865721
1-cyclopropylsulfonyl-4-methylpiperazine
CID 59576558

Frequently Asked Questions

What is the IUPAC name of sulfuric acid;1,4,7-trimethyl-1,4,7-triazonane?
The IUPAC name of sulfuric acid;1,4,7-trimethyl-1,4,7-triazonane (CID 67593861) is sulfuric acid;1,4,7-trimethyl-1,4,7-triazonane.
What is the SMILES notation for sulfuric acid;1,4,7-trimethyl-1,4,7-triazonane?
The canonical SMILES for sulfuric acid;1,4,7-trimethyl-1,4,7-triazonane is CN1CCN(C)CCN(C)CC1.O=S(=O)(O)O.
What is the InChIKey of sulfuric acid;1,4,7-trimethyl-1,4,7-triazonane?
The InChIKey is CGDSLSBXLOWUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3.H2O4S/c1-10-4-6-11(2)8-9-12(3)7-5-10;1-5(2,3)4/h4-9H2,1-3H3;(H2,1,2,3,4).
What are the key properties of sulfuric acid;1,4,7-trimethyl-1,4,7-triazonane?
sulfuric acid;1,4,7-trimethyl-1,4,7-triazonane has a molecular weight of 269.37 g/mol, XLogP of -0.86, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sulfuric acid;1,4,7-trimethyl-1,4,7-triazonane is sourced from PubChem (CID 67593861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).