3-(4-bromo-3,5-dimethylphenoxy)pyridazine-4-carboximidamide

C13H13BrN4O — CID 107724658

IUPAC3-(4-bromo-3,5-dimethylphenoxy)pyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnnc1Oc1cc(C)c(Br)c(C)c1
InChIInChI=1S/C13H13BrN4O/c1-7-5-9(6-8(2)11(7)14)19-13-10(12(15)16)3-4-17-18-13/h3-6H,1-2H3,(H3,15,16)
InChIKeyRGUIOHTWMLKSIJ-UHFFFAOYSA-N
MW321.18 g/mol
LogP2.93
Rot. Bonds3

About 3-(4-bromo-3,5-dimethylphenoxy)pyridazine-4-carboximidamide

3-(4-bromo-3,5-dimethylphenoxy)pyridazine-4-carboximidamide (PubChem CID 107724658) has the molecular formula C13H13BrN4O and a molecular weight of 321.18 g/mol. Its IUPAC name is 3-(4-bromo-3,5-dimethylphenoxy)pyridazine-4-carboximidamide.

Molecular Properties

Compound Name3-(4-bromo-3,5-dimethylphenoxy)pyridazine-4-carboximidamide
PubChem CID107724658
Molecular FormulaC13H13BrN4O
Molecular Weight321.18 g/mol
Exact Mass320.03
IUPAC Name3-(4-bromo-3,5-dimethylphenoxy)pyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnnc1Oc1cc(C)c(Br)c(C)c1
InChIInChI=1S/C13H13BrN4O/c1-7-5-9(6-8(2)11(7)14)19-13-10(12(15)16)3-4-17-18-13/h3-6H,1-2H3,(H3,15,16)
InChIKeyRGUIOHTWMLKSIJ-UHFFFAOYSA-N
XLogP2.93
TPSA84.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.18
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-(3,5-dimethoxyphenoxy)pyridazine-4-carboximidamide
CID 80514150
3-(3-methyl-4-propan-2-ylphenoxy)pyridazine-4-carboximidamide
CID 80514301
3-(4-bromo-3,5-dimethylphenoxy)pyridazine-4-carboxylic acid
CID 107726786
3-[(5-bromo-3-pyridinyl)oxy]pyridazine-4-carboximidamide
CID 80514131
3-(2,3,6-trimethylphenoxy)pyridazine-4-carboximidamide
CID 80514283
3-(4-bromo-2-chlorophenoxy)pyridazine-4-carboximidamide
CID 80514235
2-bromo-4-(4-bromo-3,5-dimethylphenoxy)benzenecarboximidamide
CID 107724642
3-methoxypyridazine-4-carboximidamide
CID 80514231
3-(3-propan-2-ylphenoxy)pyridazine-4-carboximidamide
CID 80514169
4-(4-bromo-3,5-dimethylphenoxy)benzenecarboximidamide
CID 107724678
3-(2-propan-2-ylphenoxy)pyridazine-4-carboximidamide
CID 80513986
3-(2-methyl-3-nitrophenoxy)pyridazine-4-carboximidamide
CID 80514173

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-3,5-dimethylphenoxy)pyridazine-4-carboximidamide?
The IUPAC name of 3-(4-bromo-3,5-dimethylphenoxy)pyridazine-4-carboximidamide (CID 107724658) is 3-(4-bromo-3,5-dimethylphenoxy)pyridazine-4-carboximidamide.
What is the SMILES notation for 3-(4-bromo-3,5-dimethylphenoxy)pyridazine-4-carboximidamide?
The canonical SMILES for 3-(4-bromo-3,5-dimethylphenoxy)pyridazine-4-carboximidamide is [H]/N=C(\N)c1ccnnc1Oc1cc(C)c(Br)c(C)c1.
What is the InChIKey of 3-(4-bromo-3,5-dimethylphenoxy)pyridazine-4-carboximidamide?
The InChIKey is RGUIOHTWMLKSIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN4O/c1-7-5-9(6-8(2)11(7)14)19-13-10(12(15)16)3-4-17-18-13/h3-6H,1-2H3,(H3,15,16).
What are the key properties of 3-(4-bromo-3,5-dimethylphenoxy)pyridazine-4-carboximidamide?
3-(4-bromo-3,5-dimethylphenoxy)pyridazine-4-carboximidamide has a molecular weight of 321.18 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-3,5-dimethylphenoxy)pyridazine-4-carboximidamide is sourced from PubChem (CID 107724658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).