N-hydroxy-N'-(4-pyridin-3-yl-1,2,5-oxadiazol-3-yl)methanimidamide

C8H7N5O2 — CID 2745341

IUPACN-hydroxy-N'-(4-pyridin-3-yl-1,2,5-oxadiazol-3-yl)methanimidamide
SMILESON/C=N/c1nonc1-c1cccnc1
InChIInChI=1S/C8H7N5O2/c14-11-5-10-8-7(12-15-13-8)6-2-1-3-9-4-6/h1-5,14H,(H,10,11,13)
InChIKeyRYUIHWSTWATILI-UHFFFAOYSA-N
MW205.18 g/mol
LogP0.77
Rot. Bonds3

About N-hydroxy-N'-(4-pyridin-3-yl-1,2,5-oxadiazol-3-yl)methanimidamide

N-hydroxy-N'-(4-pyridin-3-yl-1,2,5-oxadiazol-3-yl)methanimidamide (PubChem CID 2745341) has the molecular formula C8H7N5O2 and a molecular weight of 205.18 g/mol. Its IUPAC name is N-hydroxy-N'-(4-pyridin-3-yl-1,2,5-oxadiazol-3-yl)methanimidamide.

Molecular Properties

Compound NameN-hydroxy-N'-(4-pyridin-3-yl-1,2,5-oxadiazol-3-yl)methanimidamide
PubChem CID2745341
Molecular FormulaC8H7N5O2
Molecular Weight205.18 g/mol
Exact Mass205.06
IUPAC NameN-hydroxy-N'-(4-pyridin-3-yl-1,2,5-oxadiazol-3-yl)methanimidamide
SMILESON/C=N/c1nonc1-c1cccnc1
InChIInChI=1S/C8H7N5O2/c14-11-5-10-8-7(12-15-13-8)6-2-1-3-9-4-6/h1-5,14H,(H,10,11,13)
InChIKeyRYUIHWSTWATILI-UHFFFAOYSA-N
XLogP0.77
TPSA96.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 N-hydroxy-N'-(4-pyridin-3-yl-1,2,5-oxadiazol-3-yl)methanimidamide?
The IUPAC name of N-hydroxy-N'-(4-pyridin-3-yl-1,2,5-oxadiazol-3-yl)methanimidamide (CID 2745341) is N-hydroxy-N'-(4-pyridin-3-yl-1,2,5-oxadiazol-3-yl)methanimidamide.
What is the SMILES notation for N-hydroxy-N'-(4-pyridin-3-yl-1,2,5-oxadiazol-3-yl)methanimidamide?
The canonical SMILES for N-hydroxy-N'-(4-pyridin-3-yl-1,2,5-oxadiazol-3-yl)methanimidamide is ON/C=N/c1nonc1-c1cccnc1.
What is the InChIKey of N-hydroxy-N'-(4-pyridin-3-yl-1,2,5-oxadiazol-3-yl)methanimidamide?
The InChIKey is RYUIHWSTWATILI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N5O2/c14-11-5-10-8-7(12-15-13-8)6-2-1-3-9-4-6/h1-5,14H,(H,10,11,13).
What are the key properties of N-hydroxy-N'-(4-pyridin-3-yl-1,2,5-oxadiazol-3-yl)methanimidamide?
N-hydroxy-N'-(4-pyridin-3-yl-1,2,5-oxadiazol-3-yl)methanimidamide has a molecular weight of 205.18 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N'-(4-pyridin-3-yl-1,2,5-oxadiazol-3-yl)methanimidamide is sourced from PubChem (CID 2745341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).