guanidine;phosphoric acid;propane-1,2-diamine

C4H18N5O4P — CID 87429933

IUPACguanidine;phosphoric acid;propane-1,2-diamine
SMILESCC(N)CN.O=P(O)(O)O.[H]N=C(N)N
InChIInChI=1S/C3H10N2.CH5N3.H3O4P/c1-3(5)2-4;2-1(3)4;1-5(2,3)4/h3H,2,4-5H2,1H3;(H5,2,3,4);(H3,1,2,3,4)
InChIKeyGEGNYDHDVITYHY-UHFFFAOYSA-N
MW231.19 g/mol
LogP-2.80
Rot. Bonds1

About guanidine;phosphoric acid;propane-1,2-diamine

guanidine;phosphoric acid;propane-1,2-diamine (PubChem CID 87429933) has the molecular formula C4H18N5O4P and a molecular weight of 231.19 g/mol. Its IUPAC name is guanidine;phosphoric acid;propane-1,2-diamine.

Molecular Properties

Compound Nameguanidine;phosphoric acid;propane-1,2-diamine
PubChem CID87429933
Molecular FormulaC4H18N5O4P
Molecular Weight231.19 g/mol
Exact Mass231.11
IUPAC Nameguanidine;phosphoric acid;propane-1,2-diamine
SMILESCC(N)CN.O=P(O)(O)O.[H]N=C(N)N
InChIInChI=1S/C3H10N2.CH5N3.H3O4P/c1-3(5)2-4;2-1(3)4;1-5(2,3)4/h3H,2,4-5H2,1H3;(H5,2,3,4);(H3,1,2,3,4)
InChIKeyGEGNYDHDVITYHY-UHFFFAOYSA-N
XLogP-2.80
TPSA205.69 Ų
H-Bond Donors8
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500231.19
LogP ≤ 5-2.80
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of guanidine;phosphoric acid;propane-1,2-diamine?
The IUPAC name of guanidine;phosphoric acid;propane-1,2-diamine (CID 87429933) is guanidine;phosphoric acid;propane-1,2-diamine.
What is the SMILES notation for guanidine;phosphoric acid;propane-1,2-diamine?
The canonical SMILES for guanidine;phosphoric acid;propane-1,2-diamine is CC(N)CN.O=P(O)(O)O.[H]N=C(N)N.
What is the InChIKey of guanidine;phosphoric acid;propane-1,2-diamine?
The InChIKey is GEGNYDHDVITYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10N2.CH5N3.H3O4P/c1-3(5)2-4;2-1(3)4;1-5(2,3)4/h3H,2,4-5H2,1H3;(H5,2,3,4);(H3,1,2,3,4).
What are the key properties of guanidine;phosphoric acid;propane-1,2-diamine?
guanidine;phosphoric acid;propane-1,2-diamine has a molecular weight of 231.19 g/mol, XLogP of -2.80, 1 rotatable bonds, 8 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for guanidine;phosphoric acid;propane-1,2-diamine is sourced from PubChem (CID 87429933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).