imidazolidine;phosphoric acid

C3H11N2O4P — CID 174516129

IUPACimidazolidine;phosphoric acid
SMILESC1CNCN1.O=P(O)(O)O
InChIInChI=1S/C3H8N2.H3O4P/c1-2-5-3-4-1;1-5(2,3)4/h4-5H,1-3H2;(H3,1,2,3,4)
InChIKeyYLZDUGOOGCVZMS-UHFFFAOYSA-N
MW170.10 g/mol
LogP-1.79
Rot. Bonds

About imidazolidine;phosphoric acid

imidazolidine;phosphoric acid (PubChem CID 174516129) has the molecular formula C3H11N2O4P and a molecular weight of 170.10 g/mol. Its IUPAC name is imidazolidine;phosphoric acid.

Molecular Properties

Compound Nameimidazolidine;phosphoric acid
PubChem CID174516129
Molecular FormulaC3H11N2O4P
Molecular Weight170.10 g/mol
Exact Mass170.05
IUPAC Nameimidazolidine;phosphoric acid
SMILESC1CNCN1.O=P(O)(O)O
InChIInChI=1S/C3H8N2.H3O4P/c1-2-5-3-4-1;1-5(2,3)4/h4-5H,1-3H2;(H3,1,2,3,4)
InChIKeyYLZDUGOOGCVZMS-UHFFFAOYSA-N
XLogP-1.79
TPSA101.82 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.10
LogP ≤ 5-1.79
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

azetidine;phosphoric acid
CID 172755037
imidazolidine;methanol
CID 160892789
imidazolidine;oxalic acid
CID 174299002
phosphoric acid;tris(pyrrolidine)
CID 172771048
aminophosphonic acid;piperazine
CID 175475544
imidazolidine;sulfuric acid
CID 70477093
1,3,5-triazepane
CID 22147931
imidazolidine;hydrofluoride
CID 69023046
phosphoric acid;xenon
CID 159732465
molybdenum;phosphoric acid;zirconium
CID 173324853
dicalcium;hydron;phosphoric acid
CID 173008469
calcium;phosphoric acid;hydrate
CID 170923527

Frequently Asked Questions

What is the IUPAC name of imidazolidine;phosphoric acid?
The IUPAC name of imidazolidine;phosphoric acid (CID 174516129) is imidazolidine;phosphoric acid.
What is the SMILES notation for imidazolidine;phosphoric acid?
The canonical SMILES for imidazolidine;phosphoric acid is C1CNCN1.O=P(O)(O)O.
What is the InChIKey of imidazolidine;phosphoric acid?
The InChIKey is YLZDUGOOGCVZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N2.H3O4P/c1-2-5-3-4-1;1-5(2,3)4/h4-5H,1-3H2;(H3,1,2,3,4).
What are the key properties of imidazolidine;phosphoric acid?
imidazolidine;phosphoric acid has a molecular weight of 170.10 g/mol, XLogP of -1.79, 0 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for imidazolidine;phosphoric acid is sourced from PubChem (CID 174516129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).