3-(4-bromo-3,5-dimethylpyrazol-1-yl)pyridazine-4-carboximidamide

C10H11BrN6 — CID 80513474

IUPAC3-(4-bromo-3,5-dimethylpyrazol-1-yl)pyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnnc1-n1nc(C)c(Br)c1C
InChIInChI=1S/C10H11BrN6/c1-5-8(11)6(2)17(16-5)10-7(9(12)13)3-4-14-15-10/h3-4H,1-2H3,(H3,12,13)
InChIKeyUUBOTWMXRKDZBR-UHFFFAOYSA-N
MW295.14 g/mol
LogP1.33
Rot. Bonds2

About 3-(4-bromo-3,5-dimethylpyrazol-1-yl)pyridazine-4-carboximidamide

3-(4-bromo-3,5-dimethylpyrazol-1-yl)pyridazine-4-carboximidamide (PubChem CID 80513474) has the molecular formula C10H11BrN6 and a molecular weight of 295.14 g/mol. Its IUPAC name is 3-(4-bromo-3,5-dimethylpyrazol-1-yl)pyridazine-4-carboximidamide.

Molecular Properties

Compound Name3-(4-bromo-3,5-dimethylpyrazol-1-yl)pyridazine-4-carboximidamide
PubChem CID80513474
Molecular FormulaC10H11BrN6
Molecular Weight295.14 g/mol
Exact Mass294.02
IUPAC Name3-(4-bromo-3,5-dimethylpyrazol-1-yl)pyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnnc1-n1nc(C)c(Br)c1C
InChIInChI=1S/C10H11BrN6/c1-5-8(11)6(2)17(16-5)10-7(9(12)13)3-4-14-15-10/h3-4H,1-2H3,(H3,12,13)
InChIKeyUUBOTWMXRKDZBR-UHFFFAOYSA-N
XLogP1.33
TPSA93.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.14
LogP ≤ 51.33
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-3,5-dimethylpyrazol-1-yl)pyridazine-4-carboximidamide?
The IUPAC name of 3-(4-bromo-3,5-dimethylpyrazol-1-yl)pyridazine-4-carboximidamide (CID 80513474) is 3-(4-bromo-3,5-dimethylpyrazol-1-yl)pyridazine-4-carboximidamide.
What is the SMILES notation for 3-(4-bromo-3,5-dimethylpyrazol-1-yl)pyridazine-4-carboximidamide?
The canonical SMILES for 3-(4-bromo-3,5-dimethylpyrazol-1-yl)pyridazine-4-carboximidamide is [H]/N=C(\N)c1ccnnc1-n1nc(C)c(Br)c1C.
What is the InChIKey of 3-(4-bromo-3,5-dimethylpyrazol-1-yl)pyridazine-4-carboximidamide?
The InChIKey is UUBOTWMXRKDZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN6/c1-5-8(11)6(2)17(16-5)10-7(9(12)13)3-4-14-15-10/h3-4H,1-2H3,(H3,12,13).
What are the key properties of 3-(4-bromo-3,5-dimethylpyrazol-1-yl)pyridazine-4-carboximidamide?
3-(4-bromo-3,5-dimethylpyrazol-1-yl)pyridazine-4-carboximidamide has a molecular weight of 295.14 g/mol, XLogP of 1.33, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-3,5-dimethylpyrazol-1-yl)pyridazine-4-carboximidamide is sourced from PubChem (CID 80513474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).