4-aminooxybenzenecarboximidamide

C7H9N3O — CID 10441869

IUPAC4-aminooxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(ON)cc1
InChIInChI=1S/C7H9N3O/c8-7(9)5-1-3-6(11-10)4-2-5/h1-4H,10H2,(H3,8,9)
InChIKeyYYCXWVIRBCZGAR-UHFFFAOYSA-N
MW151.17 g/mol
LogP0.22
Rot. Bonds2

About 4-aminooxybenzenecarboximidamide

4-aminooxybenzenecarboximidamide (PubChem CID 10441869) has the molecular formula C7H9N3O and a molecular weight of 151.17 g/mol. Its IUPAC name is 4-aminooxybenzenecarboximidamide.

Molecular Properties

Compound Name4-aminooxybenzenecarboximidamide
PubChem CID10441869
Molecular FormulaC7H9N3O
Molecular Weight151.17 g/mol
Exact Mass151.07
IUPAC Name4-aminooxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(ON)cc1
InChIInChI=1S/C7H9N3O/c8-7(9)5-1-3-6(11-10)4-2-5/h1-4H,10H2,(H3,8,9)
InChIKeyYYCXWVIRBCZGAR-UHFFFAOYSA-N
XLogP0.22
TPSA85.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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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Related Compounds

4-[3-(4-carbamimidoylphenoxy)propoxy]benzenecarboximidamide;hydrochloride
CID 44573593
4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide;dihydrochloride
CID 10431865
4-[8-(4-carbamimidoylphenoxy)octoxy]benzenecarboximidamide;methane
CID 158584747
4-[[4-[(4-carbamimidoylphenoxy)methyl]phenyl]methoxy]benzenecarboximidamide;methane
CID 161112303
4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide;platinum(2+);diiodide
CID 10056078
4-butoxybenzenecarboximidamide
CID 3015454
4-[2-[bis[2-(4-carbamimidoylphenoxy)ethyl]amino]ethoxy]benzenecarboximidamide
CID 139715205
3,5-bis[(4-carbamimidoylphenoxy)methyl]benzenecarboximidamide
CID 139902633
4-[4-(2-hydroxyethyl)phenoxy]benzenecarboximidamide
CID 107709008
4-aminobenzenecarboximidamide;ethane
CID 142339418
4-ethanimidoylbenzenecarboximidamide
CID 148687988
4-fluorobenzenecarboximidamide;hydroiodide
CID 68780775

Frequently Asked Questions

What is the IUPAC name of 4-aminooxybenzenecarboximidamide?
The IUPAC name of 4-aminooxybenzenecarboximidamide (CID 10441869) is 4-aminooxybenzenecarboximidamide.
What is the SMILES notation for 4-aminooxybenzenecarboximidamide?
The canonical SMILES for 4-aminooxybenzenecarboximidamide is [H]/N=C(\N)c1ccc(ON)cc1.
What is the InChIKey of 4-aminooxybenzenecarboximidamide?
The InChIKey is YYCXWVIRBCZGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O/c8-7(9)5-1-3-6(11-10)4-2-5/h1-4H,10H2,(H3,8,9).
What are the key properties of 4-aminooxybenzenecarboximidamide?
4-aminooxybenzenecarboximidamide has a molecular weight of 151.17 g/mol, XLogP of 0.22, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminooxybenzenecarboximidamide is sourced from PubChem (CID 10441869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).