3-pyridazin-4-ylpropan-1-amine;dihydrochloride

C7H13Cl2N3 — CID 129245109

IUPAC3-pyridazin-4-ylpropan-1-amine;dihydrochloride
SMILESCl.Cl.NCCCc1ccnnc1
InChIInChI=1S/C7H11N3.2ClH/c8-4-1-2-7-3-5-9-10-6-7;;/h3,5-6H,1-2,4,8H2;2*1H
InChIKeyKLCDMERTDLESJW-UHFFFAOYSA-N
MW210.11 g/mol
LogP1.21
Rot. Bonds3

About 3-pyridazin-4-ylpropan-1-amine;dihydrochloride

3-pyridazin-4-ylpropan-1-amine;dihydrochloride (PubChem CID 129245109) has the molecular formula C7H13Cl2N3 and a molecular weight of 210.11 g/mol. Its IUPAC name is 3-pyridazin-4-ylpropan-1-amine;dihydrochloride.

Molecular Properties

Compound Name3-pyridazin-4-ylpropan-1-amine;dihydrochloride
PubChem CID129245109
Molecular FormulaC7H13Cl2N3
Molecular Weight210.11 g/mol
Exact Mass209.05
IUPAC Name3-pyridazin-4-ylpropan-1-amine;dihydrochloride
SMILESCl.Cl.NCCCc1ccnnc1
InChIInChI=1S/C7H11N3.2ClH/c8-4-1-2-7-3-5-9-10-6-7;;/h3,5-6H,1-2,4,8H2;2*1H
InChIKeyKLCDMERTDLESJW-UHFFFAOYSA-N
XLogP1.21
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.11
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-pyridazin-4-ylpropan-1-amine;dihydrochloride?
The IUPAC name of 3-pyridazin-4-ylpropan-1-amine;dihydrochloride (CID 129245109) is 3-pyridazin-4-ylpropan-1-amine;dihydrochloride.
What is the SMILES notation for 3-pyridazin-4-ylpropan-1-amine;dihydrochloride?
The canonical SMILES for 3-pyridazin-4-ylpropan-1-amine;dihydrochloride is Cl.Cl.NCCCc1ccnnc1.
What is the InChIKey of 3-pyridazin-4-ylpropan-1-amine;dihydrochloride?
The InChIKey is KLCDMERTDLESJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3.2ClH/c8-4-1-2-7-3-5-9-10-6-7;;/h3,5-6H,1-2,4,8H2;2*1H.
What are the key properties of 3-pyridazin-4-ylpropan-1-amine;dihydrochloride?
3-pyridazin-4-ylpropan-1-amine;dihydrochloride has a molecular weight of 210.11 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridazin-4-ylpropan-1-amine;dihydrochloride is sourced from PubChem (CID 129245109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).