cyanamide;phosphoric acid;urea

C2H9N4O5P — CID 175480992

IUPACcyanamide;phosphoric acid;urea
SMILESN#CN.NC(N)=O.O=P(O)(O)O
InChIInChI=1S/CH4N2O.CH2N2.H3O4P/c2-1(3)4;2-1-3;1-5(2,3)4/h(H4,2,3,4);2H2;(H3,1,2,3,4)
InChIKeyRTERWQIXRCULJS-UHFFFAOYSA-N
MW200.09 g/mol
LogP-2.48
Rot. Bonds

About cyanamide;phosphoric acid;urea

cyanamide;phosphoric acid;urea (PubChem CID 175480992) has the molecular formula C2H9N4O5P and a molecular weight of 200.09 g/mol. Its IUPAC name is cyanamide;phosphoric acid;urea.

Molecular Properties

Compound Namecyanamide;phosphoric acid;urea
PubChem CID175480992
Molecular FormulaC2H9N4O5P
Molecular Weight200.09 g/mol
Exact Mass200.03
IUPAC Namecyanamide;phosphoric acid;urea
SMILESN#CN.NC(N)=O.O=P(O)(O)O
InChIInChI=1S/CH4N2O.CH2N2.H3O4P/c2-1(3)4;2-1-3;1-5(2,3)4/h(H4,2,3,4);2H2;(H3,1,2,3,4)
InChIKeyRTERWQIXRCULJS-UHFFFAOYSA-N
XLogP-2.48
TPSA196.68 Ų
H-Bond Donors6
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500200.09
LogP ≤ 5-2.48
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

phosphoric acid;hydrate
CID 22023151
strontium cyanamide
CID 22399917
phosphoric acid;hexahydrate
CID 158346288
phosphoric acid;trihydrate
CID 18988970
phosphoric acid;octahydrate
CID 173160172
cyanamide;diphosphono hydrogen phosphate
CID 174604017
azane;phosphoric acid;sulfuric acid;urea
CID 173445990
phosphoric acid;zinc;octahydrate
CID 173057080
azane;phosphoric acid;hydrate
CID 173222009
phosphoric acid;titanium;hydrate
CID 173357749
copper;phosphoric acid;hydrate
CID 516939
calcium;phosphoric acid;hydrate
CID 170923527

Frequently Asked Questions

What is the IUPAC name of cyanamide;phosphoric acid;urea?
The IUPAC name of cyanamide;phosphoric acid;urea (CID 175480992) is cyanamide;phosphoric acid;urea.
What is the SMILES notation for cyanamide;phosphoric acid;urea?
The canonical SMILES for cyanamide;phosphoric acid;urea is N#CN.NC(N)=O.O=P(O)(O)O.
What is the InChIKey of cyanamide;phosphoric acid;urea?
The InChIKey is RTERWQIXRCULJS-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4N2O.CH2N2.H3O4P/c2-1(3)4;2-1-3;1-5(2,3)4/h(H4,2,3,4);2H2;(H3,1,2,3,4).
What are the key properties of cyanamide;phosphoric acid;urea?
cyanamide;phosphoric acid;urea has a molecular weight of 200.09 g/mol, XLogP of -2.48, 0 rotatable bonds, 6 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyanamide;phosphoric acid;urea is sourced from PubChem (CID 175480992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).