guanidine;hydroxy(oxo)phosphanium

CH7N3O2P+ — CID 158333694

IUPACguanidine;hydroxy(oxo)phosphanium
SMILESO=[PH+]O.[H]N=C(N)N
InChIInChI=1S/CH5N3.HO2P/c2-1(3)4;1-3-2/h(H5,2,3,4);3H/p+1
InChIKeyNKKJITIDXXPGQK-UHFFFAOYSA-O
MW124.06 g/mol
LogP-1.24
Rot. Bonds

About guanidine;hydroxy(oxo)phosphanium

guanidine;hydroxy(oxo)phosphanium (PubChem CID 158333694) has the molecular formula CH7N3O2P+ and a molecular weight of 124.06 g/mol. Its IUPAC name is guanidine;hydroxy(oxo)phosphanium.

Molecular Properties

Compound Nameguanidine;hydroxy(oxo)phosphanium
PubChem CID158333694
Molecular FormulaCH7N3O2P+
Molecular Weight124.06 g/mol
Exact Mass124.03
IUPAC Nameguanidine;hydroxy(oxo)phosphanium
SMILESO=[PH+]O.[H]N=C(N)N
InChIInChI=1S/CH5N3.HO2P/c2-1(3)4;1-3-2/h(H5,2,3,4);3H/p+1
InChIKeyNKKJITIDXXPGQK-UHFFFAOYSA-O
XLogP-1.24
TPSA113.19 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.06
LogP ≤ 5-1.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of guanidine;hydroxy(oxo)phosphanium?
The IUPAC name of guanidine;hydroxy(oxo)phosphanium (CID 158333694) is guanidine;hydroxy(oxo)phosphanium.
What is the SMILES notation for guanidine;hydroxy(oxo)phosphanium?
The canonical SMILES for guanidine;hydroxy(oxo)phosphanium is O=[PH+]O.[H]N=C(N)N.
What is the InChIKey of guanidine;hydroxy(oxo)phosphanium?
The InChIKey is NKKJITIDXXPGQK-UHFFFAOYSA-O. The full InChI is InChI=1S/CH5N3.HO2P/c2-1(3)4;1-3-2/h(H5,2,3,4);3H/p+1.
What are the key properties of guanidine;hydroxy(oxo)phosphanium?
guanidine;hydroxy(oxo)phosphanium has a molecular weight of 124.06 g/mol, XLogP of -1.24, 0 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for guanidine;hydroxy(oxo)phosphanium is sourced from PubChem (CID 158333694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).