2-[(E)-(5-hydroxy-2-pyridinyl)methylideneamino]guanidine

C7H9N5O — CID 135764946

IUPAC2-[(E)-(5-hydroxy-2-pyridinyl)methylideneamino]guanidine
SMILESNC(N)=N/N=C/c1ccc(O)cn1
InChIInChI=1S/C7H9N5O/c8-7(9)12-11-3-5-1-2-6(13)4-10-5/h1-4,13H,(H4,8,9,12)/b11-3+
InChIKeyOEMUUZJTCZMSOY-QDEBKDIKSA-N
MW179.18 g/mol
LogP-0.61
Rot. Bonds2

About 2-[(E)-(5-hydroxy-2-pyridinyl)methylideneamino]guanidine

2-[(E)-(5-hydroxy-2-pyridinyl)methylideneamino]guanidine (PubChem CID 135764946) has the molecular formula C7H9N5O and a molecular weight of 179.18 g/mol. Its IUPAC name is 2-[(E)-(5-hydroxy-2-pyridinyl)methylideneamino]guanidine.

Molecular Properties

Compound Name2-[(E)-(5-hydroxy-2-pyridinyl)methylideneamino]guanidine
PubChem CID135764946
Molecular FormulaC7H9N5O
Molecular Weight179.18 g/mol
Exact Mass179.08
IUPAC Name2-[(E)-(5-hydroxy-2-pyridinyl)methylideneamino]guanidine
SMILESNC(N)=N/N=C/c1ccc(O)cn1
InChIInChI=1S/C7H9N5O/c8-7(9)12-11-3-5-1-2-6(13)4-10-5/h1-4,13H,(H4,8,9,12)/b11-3+
InChIKeyOEMUUZJTCZMSOY-QDEBKDIKSA-N
XLogP-0.61
TPSA109.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 5-0.61
H-Bond Donors ≤ 53
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(5-hydroxy-2-pyridinyl)methylideneamino]guanidine?
The IUPAC name of 2-[(E)-(5-hydroxy-2-pyridinyl)methylideneamino]guanidine (CID 135764946) is 2-[(E)-(5-hydroxy-2-pyridinyl)methylideneamino]guanidine.
What is the SMILES notation for 2-[(E)-(5-hydroxy-2-pyridinyl)methylideneamino]guanidine?
The canonical SMILES for 2-[(E)-(5-hydroxy-2-pyridinyl)methylideneamino]guanidine is NC(N)=N/N=C/c1ccc(O)cn1.
What is the InChIKey of 2-[(E)-(5-hydroxy-2-pyridinyl)methylideneamino]guanidine?
The InChIKey is OEMUUZJTCZMSOY-QDEBKDIKSA-N. The full InChI is InChI=1S/C7H9N5O/c8-7(9)12-11-3-5-1-2-6(13)4-10-5/h1-4,13H,(H4,8,9,12)/b11-3+.
What are the key properties of 2-[(E)-(5-hydroxy-2-pyridinyl)methylideneamino]guanidine?
2-[(E)-(5-hydroxy-2-pyridinyl)methylideneamino]guanidine has a molecular weight of 179.18 g/mol, XLogP of -0.61, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(5-hydroxy-2-pyridinyl)methylideneamino]guanidine is sourced from PubChem (CID 135764946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).