6-chloropyridazin-2-ium-3-amine chloride

C4H5Cl2N3 — CID 139073514

IUPAC6-chloropyridazin-2-ium-3-amine chloride
SMILESNc1ccc(Cl)n[nH+]1.[Cl-]
InChIInChI=1S/C4H4ClN3.ClH/c5-3-1-2-4(6)8-7-3;/h1-2H,(H2,6,8);1H
InChIKeyUAGFLAUGKAKLDW-UHFFFAOYSA-N
MW166.01 g/mol
LogP-2.86
Rot. Bonds

About 6-chloropyridazin-2-ium-3-amine chloride

6-chloropyridazin-2-ium-3-amine chloride (PubChem CID 139073514) has the molecular formula C4H5Cl2N3 and a molecular weight of 166.01 g/mol. Its IUPAC name is 6-chloropyridazin-2-ium-3-amine chloride.

Molecular Properties

Compound Name6-chloropyridazin-2-ium-3-amine chloride
PubChem CID139073514
Molecular FormulaC4H5Cl2N3
Molecular Weight166.01 g/mol
Exact Mass164.99
IUPAC Name6-chloropyridazin-2-ium-3-amine chloride
SMILESNc1ccc(Cl)n[nH+]1.[Cl-]
InChIInChI=1S/C4H4ClN3.ClH/c5-3-1-2-4(6)8-7-3;/h1-2H,(H2,6,8);1H
InChIKeyUAGFLAUGKAKLDW-UHFFFAOYSA-N
XLogP-2.86
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.01
LogP ≤ 5-2.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloropyridazin-2-ium-3-amine chloride?
The IUPAC name of 6-chloropyridazin-2-ium-3-amine chloride (CID 139073514) is 6-chloropyridazin-2-ium-3-amine chloride.
What is the SMILES notation for 6-chloropyridazin-2-ium-3-amine chloride?
The canonical SMILES for 6-chloropyridazin-2-ium-3-amine chloride is Nc1ccc(Cl)n[nH+]1.[Cl-].
What is the InChIKey of 6-chloropyridazin-2-ium-3-amine chloride?
The InChIKey is UAGFLAUGKAKLDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4ClN3.ClH/c5-3-1-2-4(6)8-7-3;/h1-2H,(H2,6,8);1H.
What are the key properties of 6-chloropyridazin-2-ium-3-amine chloride?
6-chloropyridazin-2-ium-3-amine chloride has a molecular weight of 166.01 g/mol, XLogP of -2.86, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloropyridazin-2-ium-3-amine chloride is sourced from PubChem (CID 139073514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).