3,6-dichloropyridazine-4-carboximidamide

C5H4Cl2N4 — CID 153219721

IUPAC3,6-dichloropyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(Cl)nnc1Cl
InChIInChI=1S/C5H4Cl2N4/c6-3-1-2(5(8)9)4(7)11-10-3/h1H,(H3,8,9)
InChIKeyWNKIASLVZGJPJX-UHFFFAOYSA-N
MW191.02 g/mol
LogP1.07
Rot. Bonds1

About 3,6-dichloropyridazine-4-carboximidamide

3,6-dichloropyridazine-4-carboximidamide (PubChem CID 153219721) has the molecular formula C5H4Cl2N4 and a molecular weight of 191.02 g/mol. Its IUPAC name is 3,6-dichloropyridazine-4-carboximidamide.

Molecular Properties

Compound Name3,6-dichloropyridazine-4-carboximidamide
PubChem CID153219721
Molecular FormulaC5H4Cl2N4
Molecular Weight191.02 g/mol
Exact Mass189.98
IUPAC Name3,6-dichloropyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(Cl)nnc1Cl
InChIInChI=1S/C5H4Cl2N4/c6-3-1-2(5(8)9)4(7)11-10-3/h1H,(H3,8,9)
InChIKeyWNKIASLVZGJPJX-UHFFFAOYSA-N
XLogP1.07
TPSA75.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.02
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 3,6-dichloropyridazine-4-carboximidamide?
The IUPAC name of 3,6-dichloropyridazine-4-carboximidamide (CID 153219721) is 3,6-dichloropyridazine-4-carboximidamide.
What is the SMILES notation for 3,6-dichloropyridazine-4-carboximidamide?
The canonical SMILES for 3,6-dichloropyridazine-4-carboximidamide is [H]/N=C(\N)c1cc(Cl)nnc1Cl.
What is the InChIKey of 3,6-dichloropyridazine-4-carboximidamide?
The InChIKey is WNKIASLVZGJPJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4Cl2N4/c6-3-1-2(5(8)9)4(7)11-10-3/h1H,(H3,8,9).
What are the key properties of 3,6-dichloropyridazine-4-carboximidamide?
3,6-dichloropyridazine-4-carboximidamide has a molecular weight of 191.02 g/mol, XLogP of 1.07, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloropyridazine-4-carboximidamide is sourced from PubChem (CID 153219721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).