azane;phosphoric acid;prop-1-ene-1,1-diamine;sulfuric acid

C3H16N3O8PS — CID 175414224

IUPACazane;phosphoric acid;prop-1-ene-1,1-diamine;sulfuric acid
SMILESCC=C(N)N.N.O=P(O)(O)O.O=S(=O)(O)O
InChIInChI=1S/C3H8N2.H3N.H3O4P.H2O4S/c1-2-3(4)5;;2*1-5(2,3)4/h2H,4-5H2,1H3;1H3;(H3,1,2,3,4);(H2,1,2,3,4)
InChIKeyQXTZKXSINHDORD-UHFFFAOYSA-N
MW285.22 g/mol
LogP-1.65
Rot. Bonds

About azane;phosphoric acid;prop-1-ene-1,1-diamine;sulfuric acid

azane;phosphoric acid;prop-1-ene-1,1-diamine;sulfuric acid (PubChem CID 175414224) has the molecular formula C3H16N3O8PS and a molecular weight of 285.22 g/mol. Its IUPAC name is azane;phosphoric acid;prop-1-ene-1,1-diamine;sulfuric acid.

Molecular Properties

Compound Nameazane;phosphoric acid;prop-1-ene-1,1-diamine;sulfuric acid
PubChem CID175414224
Molecular FormulaC3H16N3O8PS
Molecular Weight285.22 g/mol
Exact Mass285.04
IUPAC Nameazane;phosphoric acid;prop-1-ene-1,1-diamine;sulfuric acid
SMILESCC=C(N)N.N.O=P(O)(O)O.O=S(=O)(O)O
InChIInChI=1S/C3H8N2.H3N.H3O4P.H2O4S/c1-2-3(4)5;;2*1-5(2,3)4/h2H,4-5H2,1H3;1H3;(H3,1,2,3,4);(H2,1,2,3,4)
InChIKeyQXTZKXSINHDORD-UHFFFAOYSA-N
XLogP-1.65
TPSA239.40 Ų
H-Bond Donors8
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.22
LogP ≤ 5-1.65
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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dicalcium;magnesium;hydride;phosphoric acid;sulfuric acid
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potassium;azane;dihydrogen phosphate;sulfuric acid
CID 174800048
sodium;azane;hydrogen sulfate;phosphoric acid
CID 174408552
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dipotassium;azane;phosphoric acid;urea;sulfate
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Frequently Asked Questions

What is the IUPAC name of azane;phosphoric acid;prop-1-ene-1,1-diamine;sulfuric acid?
The IUPAC name of azane;phosphoric acid;prop-1-ene-1,1-diamine;sulfuric acid (CID 175414224) is azane;phosphoric acid;prop-1-ene-1,1-diamine;sulfuric acid.
What is the SMILES notation for azane;phosphoric acid;prop-1-ene-1,1-diamine;sulfuric acid?
The canonical SMILES for azane;phosphoric acid;prop-1-ene-1,1-diamine;sulfuric acid is CC=C(N)N.N.O=P(O)(O)O.O=S(=O)(O)O.
What is the InChIKey of azane;phosphoric acid;prop-1-ene-1,1-diamine;sulfuric acid?
The InChIKey is QXTZKXSINHDORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N2.H3N.H3O4P.H2O4S/c1-2-3(4)5;;2*1-5(2,3)4/h2H,4-5H2,1H3;1H3;(H3,1,2,3,4);(H2,1,2,3,4).
What are the key properties of azane;phosphoric acid;prop-1-ene-1,1-diamine;sulfuric acid?
azane;phosphoric acid;prop-1-ene-1,1-diamine;sulfuric acid has a molecular weight of 285.22 g/mol, XLogP of -1.65, 0 rotatable bonds, 8 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for azane;phosphoric acid;prop-1-ene-1,1-diamine;sulfuric acid is sourced from PubChem (CID 175414224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).