pyridazin-4-ylmethanamine;dihydrochloride

C5H9Cl2N3 — CID 67024095

IUPACpyridazin-4-ylmethanamine;dihydrochloride
SMILESCl.Cl.NCc1ccnnc1
InChIInChI=1S/C5H7N3.2ClH/c6-3-5-1-2-7-8-4-5;;/h1-2,4H,3,6H2;2*1H
InChIKeyZTHDCITZMPPPKQ-UHFFFAOYSA-N
MW182.05 g/mol
LogP0.78
Rot. Bonds1

About pyridazin-4-ylmethanamine;dihydrochloride

pyridazin-4-ylmethanamine;dihydrochloride (PubChem CID 67024095) has the molecular formula C5H9Cl2N3 and a molecular weight of 182.05 g/mol. Its IUPAC name is pyridazin-4-ylmethanamine;dihydrochloride.

Molecular Properties

Compound Namepyridazin-4-ylmethanamine;dihydrochloride
PubChem CID67024095
Molecular FormulaC5H9Cl2N3
Molecular Weight182.05 g/mol
Exact Mass181.02
IUPAC Namepyridazin-4-ylmethanamine;dihydrochloride
SMILESCl.Cl.NCc1ccnnc1
InChIInChI=1S/C5H7N3.2ClH/c6-3-5-1-2-7-8-4-5;;/h1-2,4H,3,6H2;2*1H
InChIKeyZTHDCITZMPPPKQ-UHFFFAOYSA-N
XLogP0.78
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.05
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of pyridazin-4-ylmethanamine;dihydrochloride?
The IUPAC name of pyridazin-4-ylmethanamine;dihydrochloride (CID 67024095) is pyridazin-4-ylmethanamine;dihydrochloride.
What is the SMILES notation for pyridazin-4-ylmethanamine;dihydrochloride?
The canonical SMILES for pyridazin-4-ylmethanamine;dihydrochloride is Cl.Cl.NCc1ccnnc1.
What is the InChIKey of pyridazin-4-ylmethanamine;dihydrochloride?
The InChIKey is ZTHDCITZMPPPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3.2ClH/c6-3-5-1-2-7-8-4-5;;/h1-2,4H,3,6H2;2*1H.
What are the key properties of pyridazin-4-ylmethanamine;dihydrochloride?
pyridazin-4-ylmethanamine;dihydrochloride has a molecular weight of 182.05 g/mol, XLogP of 0.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyridazin-4-ylmethanamine;dihydrochloride is sourced from PubChem (CID 67024095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).