N'-hydroxy-2-(4-pyridazin-3-ylpiperazin-1-yl)propanimidamide

C11H18N6O — CID 77012268

IUPACN'-hydroxy-2-(4-pyridazin-3-ylpiperazin-1-yl)propanimidamide
SMILESCC(C(N)=NO)N1CCN(c2cccnn2)CC1
InChIInChI=1S/C11H18N6O/c1-9(11(12)15-18)16-5-7-17(8-6-16)10-3-2-4-13-14-10/h2-4,9,18H,5-8H2,1H3,(H2,12,15)
InChIKeyQZFZUXAWVDWQKL-UHFFFAOYSA-N
MW250.31 g/mol
LogP-0.27
Rot. Bonds3

About N'-hydroxy-2-(4-pyridazin-3-ylpiperazin-1-yl)propanimidamide

N'-hydroxy-2-(4-pyridazin-3-ylpiperazin-1-yl)propanimidamide (PubChem CID 77012268) has the molecular formula C11H18N6O and a molecular weight of 250.31 g/mol. Its IUPAC name is N'-hydroxy-2-(4-pyridazin-3-ylpiperazin-1-yl)propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(4-pyridazin-3-ylpiperazin-1-yl)propanimidamide
PubChem CID77012268
Molecular FormulaC11H18N6O
Molecular Weight250.31 g/mol
Exact Mass250.15
IUPAC NameN'-hydroxy-2-(4-pyridazin-3-ylpiperazin-1-yl)propanimidamide
SMILESCC(C(N)=NO)N1CCN(c2cccnn2)CC1
InChIInChI=1S/C11H18N6O/c1-9(11(12)15-18)16-5-7-17(8-6-16)10-3-2-4-13-14-10/h2-4,9,18H,5-8H2,1H3,(H2,12,15)
InChIKeyQZFZUXAWVDWQKL-UHFFFAOYSA-N
XLogP-0.27
TPSA90.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 5-0.27
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': '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-2-(4-pyridazin-3-ylpiperazin-1-yl)propanimidamide?
The IUPAC name of N'-hydroxy-2-(4-pyridazin-3-ylpiperazin-1-yl)propanimidamide (CID 77012268) is N'-hydroxy-2-(4-pyridazin-3-ylpiperazin-1-yl)propanimidamide.
What is the SMILES notation for N'-hydroxy-2-(4-pyridazin-3-ylpiperazin-1-yl)propanimidamide?
The canonical SMILES for N'-hydroxy-2-(4-pyridazin-3-ylpiperazin-1-yl)propanimidamide is CC(C(N)=NO)N1CCN(c2cccnn2)CC1.
What is the InChIKey of N'-hydroxy-2-(4-pyridazin-3-ylpiperazin-1-yl)propanimidamide?
The InChIKey is QZFZUXAWVDWQKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6O/c1-9(11(12)15-18)16-5-7-17(8-6-16)10-3-2-4-13-14-10/h2-4,9,18H,5-8H2,1H3,(H2,12,15).
What are the key properties of N'-hydroxy-2-(4-pyridazin-3-ylpiperazin-1-yl)propanimidamide?
N'-hydroxy-2-(4-pyridazin-3-ylpiperazin-1-yl)propanimidamide has a molecular weight of 250.31 g/mol, XLogP of -0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(4-pyridazin-3-ylpiperazin-1-yl)propanimidamide is sourced from PubChem (CID 77012268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).