6-[[5-(5-fluoro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridazine-3-carboximidamide

C13H10FN7O2 — CID 155585166

IUPAC6-[[5-(5-fluoro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridazine-3-carboximidamide
SMILESNC(=NO)c1ccc(Nc2ncc(-c3ccc(F)cn3)o2)nn1
InChIInChI=1S/C13H10FN7O2/c14-7-1-2-8(16-5-7)10-6-17-13(23-10)18-11-4-3-9(19-20-11)12(15)21-22/h1-6,22H,(H2,15,21)(H,17,18,20)
InChIKeyIVBBBISBENOGMC-UHFFFAOYSA-N
MW315.27 g/mol
LogP1.50
Rot. Bonds4

About 6-[[5-(5-fluoro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridazine-3-carboximidamide

6-[[5-(5-fluoro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridazine-3-carboximidamide (PubChem CID 155585166) has the molecular formula C13H10FN7O2 and a molecular weight of 315.27 g/mol. Its IUPAC name is 6-[[5-(5-fluoro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridazine-3-carboximidamide.

Molecular Properties

Compound Name6-[[5-(5-fluoro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridazine-3-carboximidamide
PubChem CID155585166
Molecular FormulaC13H10FN7O2
Molecular Weight315.27 g/mol
Exact Mass315.09
IUPAC Name6-[[5-(5-fluoro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridazine-3-carboximidamide
SMILESNC(=NO)c1ccc(Nc2ncc(-c3ccc(F)cn3)o2)nn1
InChIInChI=1S/C13H10FN7O2/c14-7-1-2-8(16-5-7)10-6-17-13(23-10)18-11-4-3-9(19-20-11)12(15)21-22/h1-6,22H,(H2,15,21)(H,17,18,20)
InChIKeyIVBBBISBENOGMC-UHFFFAOYSA-N
XLogP1.50
TPSA135.34 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.27
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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 6-[[5-(5-fluoro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridazine-3-carboximidamide?
The IUPAC name of 6-[[5-(5-fluoro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridazine-3-carboximidamide (CID 155585166) is 6-[[5-(5-fluoro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridazine-3-carboximidamide.
What is the SMILES notation for 6-[[5-(5-fluoro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridazine-3-carboximidamide?
The canonical SMILES for 6-[[5-(5-fluoro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridazine-3-carboximidamide is NC(=NO)c1ccc(Nc2ncc(-c3ccc(F)cn3)o2)nn1.
What is the InChIKey of 6-[[5-(5-fluoro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridazine-3-carboximidamide?
The InChIKey is IVBBBISBENOGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN7O2/c14-7-1-2-8(16-5-7)10-6-17-13(23-10)18-11-4-3-9(19-20-11)12(15)21-22/h1-6,22H,(H2,15,21)(H,17,18,20).
What are the key properties of 6-[[5-(5-fluoro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridazine-3-carboximidamide?
6-[[5-(5-fluoro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridazine-3-carboximidamide has a molecular weight of 315.27 g/mol, XLogP of 1.50, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-(5-fluoro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridazine-3-carboximidamide is sourced from PubChem (CID 155585166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).