N'-hydroxy-5,6-dimethyl-3-(3-methylbutoxy)pyridazine-4-carboximidamide

C12H20N4O2 — CID 136924886

IUPACN'-hydroxy-5,6-dimethyl-3-(3-methylbutoxy)pyridazine-4-carboximidamide
SMILESCc1nnc(OCCC(C)C)c(/C(N)=N/O)c1C
InChIInChI=1S/C12H20N4O2/c1-7(2)5-6-18-12-10(11(13)16-17)8(3)9(4)14-15-12/h7,17H,5-6H2,1-4H3,(H2,13,16)
InChIKeyIYAFTTZTQZMNNE-UHFFFAOYSA-N
MW252.32 g/mol
LogP1.61
Rot. Bonds5

About N'-hydroxy-5,6-dimethyl-3-(3-methylbutoxy)pyridazine-4-carboximidamide

N'-hydroxy-5,6-dimethyl-3-(3-methylbutoxy)pyridazine-4-carboximidamide (PubChem CID 136924886) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is N'-hydroxy-5,6-dimethyl-3-(3-methylbutoxy)pyridazine-4-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-5,6-dimethyl-3-(3-methylbutoxy)pyridazine-4-carboximidamide
PubChem CID136924886
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC NameN'-hydroxy-5,6-dimethyl-3-(3-methylbutoxy)pyridazine-4-carboximidamide
SMILESCc1nnc(OCCC(C)C)c(/C(N)=N/O)c1C
InChIInChI=1S/C12H20N4O2/c1-7(2)5-6-18-12-10(11(13)16-17)8(3)9(4)14-15-12/h7,17H,5-6H2,1-4H3,(H2,13,16)
InChIKeyIYAFTTZTQZMNNE-UHFFFAOYSA-N
XLogP1.61
TPSA93.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 51.61
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-5,6-dimethyl-3-(3-methylbutoxy)pyridazine-4-carboximidamide?
The IUPAC name of N'-hydroxy-5,6-dimethyl-3-(3-methylbutoxy)pyridazine-4-carboximidamide (CID 136924886) is N'-hydroxy-5,6-dimethyl-3-(3-methylbutoxy)pyridazine-4-carboximidamide.
What is the SMILES notation for N'-hydroxy-5,6-dimethyl-3-(3-methylbutoxy)pyridazine-4-carboximidamide?
The canonical SMILES for N'-hydroxy-5,6-dimethyl-3-(3-methylbutoxy)pyridazine-4-carboximidamide is Cc1nnc(OCCC(C)C)c(/C(N)=N/O)c1C.
What is the InChIKey of N'-hydroxy-5,6-dimethyl-3-(3-methylbutoxy)pyridazine-4-carboximidamide?
The InChIKey is IYAFTTZTQZMNNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-7(2)5-6-18-12-10(11(13)16-17)8(3)9(4)14-15-12/h7,17H,5-6H2,1-4H3,(H2,13,16).
What are the key properties of N'-hydroxy-5,6-dimethyl-3-(3-methylbutoxy)pyridazine-4-carboximidamide?
N'-hydroxy-5,6-dimethyl-3-(3-methylbutoxy)pyridazine-4-carboximidamide has a molecular weight of 252.32 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5,6-dimethyl-3-(3-methylbutoxy)pyridazine-4-carboximidamide is sourced from PubChem (CID 136924886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).