N'-hydroxy-3-(N-pyridazin-3-ylanilino)propanimidamide

C13H15N5O — CID 76944452

IUPACN'-hydroxy-3-(N-pyridazin-3-ylanilino)propanimidamide
SMILESNC(CCN(c1ccccc1)c1cccnn1)=NO
InChIInChI=1S/C13H15N5O/c14-12(17-19)8-10-18(11-5-2-1-3-6-11)13-7-4-9-15-16-13/h1-7,9,19H,8,10H2,(H2,14,17)
InChIKeyRJMCAFIIXOKEHX-UHFFFAOYSA-N
MW257.30 g/mol
LogP1.75
Rot. Bonds5

About N'-hydroxy-3-(N-pyridazin-3-ylanilino)propanimidamide

N'-hydroxy-3-(N-pyridazin-3-ylanilino)propanimidamide (PubChem CID 76944452) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is N'-hydroxy-3-(N-pyridazin-3-ylanilino)propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(N-pyridazin-3-ylanilino)propanimidamide
PubChem CID76944452
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC NameN'-hydroxy-3-(N-pyridazin-3-ylanilino)propanimidamide
SMILESNC(CCN(c1ccccc1)c1cccnn1)=NO
InChIInChI=1S/C13H15N5O/c14-12(17-19)8-10-18(11-5-2-1-3-6-11)13-7-4-9-15-16-13/h1-7,9,19H,8,10H2,(H2,14,17)
InChIKeyRJMCAFIIXOKEHX-UHFFFAOYSA-N
XLogP1.75
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-3-(N-pyridazin-3-ylanilino)propanimidamide?
The IUPAC name of N'-hydroxy-3-(N-pyridazin-3-ylanilino)propanimidamide (CID 76944452) is N'-hydroxy-3-(N-pyridazin-3-ylanilino)propanimidamide.
What is the SMILES notation for N'-hydroxy-3-(N-pyridazin-3-ylanilino)propanimidamide?
The canonical SMILES for N'-hydroxy-3-(N-pyridazin-3-ylanilino)propanimidamide is NC(CCN(c1ccccc1)c1cccnn1)=NO.
What is the InChIKey of N'-hydroxy-3-(N-pyridazin-3-ylanilino)propanimidamide?
The InChIKey is RJMCAFIIXOKEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O/c14-12(17-19)8-10-18(11-5-2-1-3-6-11)13-7-4-9-15-16-13/h1-7,9,19H,8,10H2,(H2,14,17).
What are the key properties of N'-hydroxy-3-(N-pyridazin-3-ylanilino)propanimidamide?
N'-hydroxy-3-(N-pyridazin-3-ylanilino)propanimidamide has a molecular weight of 257.30 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(N-pyridazin-3-ylanilino)propanimidamide is sourced from PubChem (CID 76944452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).