1-hydroxy-2-phenylguanidine;hydrochloride

C7H10ClN3O — CID 52944315

IUPAC1-hydroxy-2-phenylguanidine;hydrochloride
SMILESCl.N/C(=N\c1ccccc1)NO
InChIInChI=1S/C7H9N3O.ClH/c8-7(10-11)9-6-4-2-1-3-5-6;/h1-5,11H,(H3,8,9,10);1H
InChIKeySOEHPVVDBXAPTO-UHFFFAOYSA-N
MW187.63 g/mol
LogP1.03
Rot. Bonds1

About 1-hydroxy-2-phenylguanidine;hydrochloride

1-hydroxy-2-phenylguanidine;hydrochloride (PubChem CID 52944315) has the molecular formula C7H10ClN3O and a molecular weight of 187.63 g/mol. Its IUPAC name is 1-hydroxy-2-phenylguanidine;hydrochloride.

Molecular Properties

Compound Name1-hydroxy-2-phenylguanidine;hydrochloride
PubChem CID52944315
Molecular FormulaC7H10ClN3O
Molecular Weight187.63 g/mol
Exact Mass187.05
IUPAC Name1-hydroxy-2-phenylguanidine;hydrochloride
SMILESCl.N/C(=N\c1ccccc1)NO
InChIInChI=1S/C7H9N3O.ClH/c8-7(10-11)9-6-4-2-1-3-5-6;/h1-5,11H,(H3,8,9,10);1H
InChIKeySOEHPVVDBXAPTO-UHFFFAOYSA-N
XLogP1.03
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.63
LogP ≤ 51.03
H-Bond Donors ≤ 53
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2-phenylguanidine;hydrochloride?
The IUPAC name of 1-hydroxy-2-phenylguanidine;hydrochloride (CID 52944315) is 1-hydroxy-2-phenylguanidine;hydrochloride.
What is the SMILES notation for 1-hydroxy-2-phenylguanidine;hydrochloride?
The canonical SMILES for 1-hydroxy-2-phenylguanidine;hydrochloride is Cl.N/C(=N\c1ccccc1)NO.
What is the InChIKey of 1-hydroxy-2-phenylguanidine;hydrochloride?
The InChIKey is SOEHPVVDBXAPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O.ClH/c8-7(10-11)9-6-4-2-1-3-5-6;/h1-5,11H,(H3,8,9,10);1H.
What are the key properties of 1-hydroxy-2-phenylguanidine;hydrochloride?
1-hydroxy-2-phenylguanidine;hydrochloride has a molecular weight of 187.63 g/mol, XLogP of 1.03, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2-phenylguanidine;hydrochloride is sourced from PubChem (CID 52944315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).