azane;phosphoric acid;propane-1,2-diamine;sulfuric acid

C3H30N7O8PS — CID 175414223

IUPACazane;phosphoric acid;propane-1,2-diamine;sulfuric acid
SMILESCC(N)CN.N.N.N.N.N.O=P(O)(O)O.O=S(=O)(O)O
InChIInChI=1S/C3H10N2.5H3N.H3O4P.H2O4S/c1-3(5)2-4;;;;;;2*1-5(2,3)4/h3H,2,4-5H2,1H3;5*1H3;(H3,1,2,3,4);(H2,1,2,3,4)
InChIKeyWSNQGSGBZNXQAA-UHFFFAOYSA-N
MW355.36 g/mol
LogP-1.48
Rot. Bonds1

About azane;phosphoric acid;propane-1,2-diamine;sulfuric acid

azane;phosphoric acid;propane-1,2-diamine;sulfuric acid (PubChem CID 175414223) has the molecular formula C3H30N7O8PS and a molecular weight of 355.36 g/mol. Its IUPAC name is azane;phosphoric acid;propane-1,2-diamine;sulfuric acid.

Molecular Properties

Compound Nameazane;phosphoric acid;propane-1,2-diamine;sulfuric acid
PubChem CID175414223
Molecular FormulaC3H30N7O8PS
Molecular Weight355.36 g/mol
Exact Mass355.16
IUPAC Nameazane;phosphoric acid;propane-1,2-diamine;sulfuric acid
SMILESCC(N)CN.N.N.N.N.N.O=P(O)(O)O.O=S(=O)(O)O
InChIInChI=1S/C3H10N2.5H3N.H3O4P.H2O4S/c1-3(5)2-4;;;;;;2*1-5(2,3)4/h3H,2,4-5H2,1H3;5*1H3;(H3,1,2,3,4);(H2,1,2,3,4)
InChIKeyWSNQGSGBZNXQAA-UHFFFAOYSA-N
XLogP-1.48
TPSA379.40 Ų
H-Bond Donors12
H-Bond Acceptors10
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.36
LogP ≤ 5-1.48
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze azane;phosphoric acid;propane-1,2-diamine;sulfuric acid 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

guanidine;phosphoric acid;propane-1,2-diamine
CID 87429933
4-aminobutane-2-sulfonic acid;phosphoric acid
CID 175430155
azane;phosphoric acid;sulfuric acid
CID 173395945
potassium;sodium;azane;hydride;phosphoric acid;sulfuric acid
CID 173414415
(2S)-propane-1,2-diamine
CID 642322
(2R)-1-aminopropane-2-sulfonic acid
CID 55285188
azane;phosphoric acid;sulfuric acid;urea
CID 173445990
azane;phosphoric acid;prop-1-ene-1,1-diamine;sulfuric acid
CID 175414224
potassium 1-aminopropane-2-sulfonic acid
CID 23077128
azane;ethanamine;sulfuric acid
CID 173214245
dicalcium;magnesium;hydride;phosphoric acid;sulfuric acid
CID 174825313
palladium;propane-1,2-diamine
CID 87255476

Frequently Asked Questions

What is the IUPAC name of azane;phosphoric acid;propane-1,2-diamine;sulfuric acid?
The IUPAC name of azane;phosphoric acid;propane-1,2-diamine;sulfuric acid (CID 175414223) is azane;phosphoric acid;propane-1,2-diamine;sulfuric acid.
What is the SMILES notation for azane;phosphoric acid;propane-1,2-diamine;sulfuric acid?
The canonical SMILES for azane;phosphoric acid;propane-1,2-diamine;sulfuric acid is CC(N)CN.N.N.N.N.N.O=P(O)(O)O.O=S(=O)(O)O.
What is the InChIKey of azane;phosphoric acid;propane-1,2-diamine;sulfuric acid?
The InChIKey is WSNQGSGBZNXQAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10N2.5H3N.H3O4P.H2O4S/c1-3(5)2-4;;;;;;2*1-5(2,3)4/h3H,2,4-5H2,1H3;5*1H3;(H3,1,2,3,4);(H2,1,2,3,4).
What are the key properties of azane;phosphoric acid;propane-1,2-diamine;sulfuric acid?
azane;phosphoric acid;propane-1,2-diamine;sulfuric acid has a molecular weight of 355.36 g/mol, XLogP of -1.48, 1 rotatable bonds, 12 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for azane;phosphoric acid;propane-1,2-diamine;sulfuric acid is sourced from PubChem (CID 175414223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).