1-pyridazin-3-ylpiperidin-3-amine;dihydrochloride

C9H16Cl2N4 — CID 54593918

IUPAC1-pyridazin-3-ylpiperidin-3-amine;dihydrochloride
SMILESCl.Cl.NC1CCCN(c2cccnn2)C1
InChIInChI=1S/C9H14N4.2ClH/c10-8-3-2-6-13(7-8)9-4-1-5-11-12-9;;/h1,4-5,8H,2-3,6-7,10H2;2*1H
InChIKeyPEJPCGYBIDAGIG-UHFFFAOYSA-N
MW251.16 g/mol
LogP1.25
Rot. Bonds1

About 1-pyridazin-3-ylpiperidin-3-amine;dihydrochloride

1-pyridazin-3-ylpiperidin-3-amine;dihydrochloride (PubChem CID 54593918) has the molecular formula C9H16Cl2N4 and a molecular weight of 251.16 g/mol. Its IUPAC name is 1-pyridazin-3-ylpiperidin-3-amine;dihydrochloride.

Molecular Properties

Compound Name1-pyridazin-3-ylpiperidin-3-amine;dihydrochloride
PubChem CID54593918
Molecular FormulaC9H16Cl2N4
Molecular Weight251.16 g/mol
Exact Mass250.08
IUPAC Name1-pyridazin-3-ylpiperidin-3-amine;dihydrochloride
SMILESCl.Cl.NC1CCCN(c2cccnn2)C1
InChIInChI=1S/C9H14N4.2ClH/c10-8-3-2-6-13(7-8)9-4-1-5-11-12-9;;/h1,4-5,8H,2-3,6-7,10H2;2*1H
InChIKeyPEJPCGYBIDAGIG-UHFFFAOYSA-N
XLogP1.25
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.16
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-pyridazin-3-ylpiperidin-3-amine;dihydrochloride?
The IUPAC name of 1-pyridazin-3-ylpiperidin-3-amine;dihydrochloride (CID 54593918) is 1-pyridazin-3-ylpiperidin-3-amine;dihydrochloride.
What is the SMILES notation for 1-pyridazin-3-ylpiperidin-3-amine;dihydrochloride?
The canonical SMILES for 1-pyridazin-3-ylpiperidin-3-amine;dihydrochloride is Cl.Cl.NC1CCCN(c2cccnn2)C1.
What is the InChIKey of 1-pyridazin-3-ylpiperidin-3-amine;dihydrochloride?
The InChIKey is PEJPCGYBIDAGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4.2ClH/c10-8-3-2-6-13(7-8)9-4-1-5-11-12-9;;/h1,4-5,8H,2-3,6-7,10H2;2*1H.
What are the key properties of 1-pyridazin-3-ylpiperidin-3-amine;dihydrochloride?
1-pyridazin-3-ylpiperidin-3-amine;dihydrochloride has a molecular weight of 251.16 g/mol, XLogP of 1.25, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridazin-3-ylpiperidin-3-amine;dihydrochloride is sourced from PubChem (CID 54593918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).