N'-hydroxy-6-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboximidamide

C15H11F3N6O2 — CID 155585177

IUPACN'-hydroxy-6-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboximidamide
SMILESNC(=NO)c1ccc(Nc2ncc(-c3ccc(C(F)(F)F)cc3)o2)nn1
InChIInChI=1S/C15H11F3N6O2/c16-15(17,18)9-3-1-8(2-4-9)11-7-20-14(26-11)21-12-6-5-10(22-23-12)13(19)24-25/h1-7,25H,(H2,19,24)(H,20,21,23)
InChIKeyRZMAASZSOROERJ-UHFFFAOYSA-N
MW364.29 g/mol
LogP2.99
Rot. Bonds4

About N'-hydroxy-6-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboximidamide

N'-hydroxy-6-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboximidamide (PubChem CID 155585177) has the molecular formula C15H11F3N6O2 and a molecular weight of 364.29 g/mol. Its IUPAC name is N'-hydroxy-6-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-6-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboximidamide
PubChem CID155585177
Molecular FormulaC15H11F3N6O2
Molecular Weight364.29 g/mol
Exact Mass364.09
IUPAC NameN'-hydroxy-6-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboximidamide
SMILESNC(=NO)c1ccc(Nc2ncc(-c3ccc(C(F)(F)F)cc3)o2)nn1
InChIInChI=1S/C15H11F3N6O2/c16-15(17,18)9-3-1-8(2-4-9)11-7-20-14(26-11)21-12-6-5-10(22-23-12)13(19)24-25/h1-7,25H,(H2,19,24)(H,20,21,23)
InChIKeyRZMAASZSOROERJ-UHFFFAOYSA-N
XLogP2.99
TPSA122.45 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.29
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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 N'-hydroxy-6-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboximidamide?
The IUPAC name of N'-hydroxy-6-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboximidamide (CID 155585177) is N'-hydroxy-6-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-6-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-6-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboximidamide is NC(=NO)c1ccc(Nc2ncc(-c3ccc(C(F)(F)F)cc3)o2)nn1.
What is the InChIKey of N'-hydroxy-6-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboximidamide?
The InChIKey is RZMAASZSOROERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N6O2/c16-15(17,18)9-3-1-8(2-4-9)11-7-20-14(26-11)21-12-6-5-10(22-23-12)13(19)24-25/h1-7,25H,(H2,19,24)(H,20,21,23).
What are the key properties of N'-hydroxy-6-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboximidamide?
N'-hydroxy-6-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboximidamide has a molecular weight of 364.29 g/mol, XLogP of 2.99, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-6-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboximidamide is sourced from PubChem (CID 155585177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).