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

C14H16N4O2 — CID 136924888

IUPACN'-hydroxy-5,6-dimethyl-3-(4-methylphenoxy)pyridazine-4-carboximidamide
SMILESCc1ccc(Oc2nnc(C)c(C)c2/C(N)=N/O)cc1
InChIInChI=1S/C14H16N4O2/c1-8-4-6-11(7-5-8)20-14-12(13(15)18-19)9(2)10(3)16-17-14/h4-7,19H,1-3H3,(H2,15,18)
InChIKeyQNSQJWMVVPDHOW-UHFFFAOYSA-N
MW272.31 g/mol
LogP2.29
Rot. Bonds3

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

N'-hydroxy-5,6-dimethyl-3-(4-methylphenoxy)pyridazine-4-carboximidamide (PubChem CID 136924888) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is N'-hydroxy-5,6-dimethyl-3-(4-methylphenoxy)pyridazine-4-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-5,6-dimethyl-3-(4-methylphenoxy)pyridazine-4-carboximidamide
PubChem CID136924888
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC NameN'-hydroxy-5,6-dimethyl-3-(4-methylphenoxy)pyridazine-4-carboximidamide
SMILESCc1ccc(Oc2nnc(C)c(C)c2/C(N)=N/O)cc1
InChIInChI=1S/C14H16N4O2/c1-8-4-6-11(7-5-8)20-14-12(13(15)18-19)9(2)10(3)16-17-14/h4-7,19H,1-3H3,(H2,15,18)
InChIKeyQNSQJWMVVPDHOW-UHFFFAOYSA-N
XLogP2.29
TPSA93.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 52.29
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'}

Analyze N'-hydroxy-5,6-dimethyl-3-(4-methylphenoxy)pyridazine-4-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5,6-dimethyl-3-(4-methylphenoxy)pyridazine-4-carboximidamide?
The IUPAC name of N'-hydroxy-5,6-dimethyl-3-(4-methylphenoxy)pyridazine-4-carboximidamide (CID 136924888) is N'-hydroxy-5,6-dimethyl-3-(4-methylphenoxy)pyridazine-4-carboximidamide.
What is the SMILES notation for N'-hydroxy-5,6-dimethyl-3-(4-methylphenoxy)pyridazine-4-carboximidamide?
The canonical SMILES for N'-hydroxy-5,6-dimethyl-3-(4-methylphenoxy)pyridazine-4-carboximidamide is Cc1ccc(Oc2nnc(C)c(C)c2/C(N)=N/O)cc1.
What is the InChIKey of N'-hydroxy-5,6-dimethyl-3-(4-methylphenoxy)pyridazine-4-carboximidamide?
The InChIKey is QNSQJWMVVPDHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-8-4-6-11(7-5-8)20-14-12(13(15)18-19)9(2)10(3)16-17-14/h4-7,19H,1-3H3,(H2,15,18).
What are the key properties of N'-hydroxy-5,6-dimethyl-3-(4-methylphenoxy)pyridazine-4-carboximidamide?
N'-hydroxy-5,6-dimethyl-3-(4-methylphenoxy)pyridazine-4-carboximidamide has a molecular weight of 272.31 g/mol, XLogP of 2.29, 3 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-(4-methylphenoxy)pyridazine-4-carboximidamide is sourced from PubChem (CID 136924888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).