4,5,6,7-tetrahydro-1H-pyrazolo[4,5-c]pyridine-1,5-diium dichloride

C6H11Cl2N3 — CID 10997918

IUPAC4,5,6,7-tetrahydro-1H-pyrazolo[4,5-c]pyridine-1,5-diium dichloride
SMILESC1=N[NH2+]C2=C1C[NH2+]CC2.[Cl-].[Cl-]
InChIInChI=1S/C6H9N3.2ClH/c1-2-7-3-5-4-8-9-6(1)5;;/h4,7H,1-3H2,(H,8,9);2*1H
InChIKeyZPIFAYFILYYZIG-UHFFFAOYSA-N
MW196.08 g/mol
LogP-8.22
Rot. Bonds

About 4,5,6,7-tetrahydro-1H-pyrazolo[4,5-c]pyridine-1,5-diium dichloride

4,5,6,7-tetrahydro-1H-pyrazolo[4,5-c]pyridine-1,5-diium dichloride (PubChem CID 10997918) has the molecular formula C6H11Cl2N3 and a molecular weight of 196.08 g/mol. Its IUPAC name is 4,5,6,7-tetrahydro-1H-pyrazolo[4,5-c]pyridine-1,5-diium dichloride.

Molecular Properties

Compound Name4,5,6,7-tetrahydro-1H-pyrazolo[4,5-c]pyridine-1,5-diium dichloride
PubChem CID10997918
Molecular FormulaC6H11Cl2N3
Molecular Weight196.08 g/mol
Exact Mass195.03
IUPAC Name4,5,6,7-tetrahydro-1H-pyrazolo[4,5-c]pyridine-1,5-diium dichloride
SMILESC1=N[NH2+]C2=C1C[NH2+]CC2.[Cl-].[Cl-]
InChIInChI=1S/C6H9N3.2ClH/c1-2-7-3-5-4-8-9-6(1)5;;/h4,7H,1-3H2,(H,8,9);2*1H
InChIKeyZPIFAYFILYYZIG-UHFFFAOYSA-N
XLogP-8.22
TPSA45.58 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.08
LogP ≤ 5-8.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,5,6,7-tetrahydro-1H-pyrazolo[4,5-c]pyridine-1,5-diium dichloride?
The IUPAC name of 4,5,6,7-tetrahydro-1H-pyrazolo[4,5-c]pyridine-1,5-diium dichloride (CID 10997918) is 4,5,6,7-tetrahydro-1H-pyrazolo[4,5-c]pyridine-1,5-diium dichloride.
What is the SMILES notation for 4,5,6,7-tetrahydro-1H-pyrazolo[4,5-c]pyridine-1,5-diium dichloride?
The canonical SMILES for 4,5,6,7-tetrahydro-1H-pyrazolo[4,5-c]pyridine-1,5-diium dichloride is C1=N[NH2+]C2=C1C[NH2+]CC2.[Cl-].[Cl-].
What is the InChIKey of 4,5,6,7-tetrahydro-1H-pyrazolo[4,5-c]pyridine-1,5-diium dichloride?
The InChIKey is ZPIFAYFILYYZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3.2ClH/c1-2-7-3-5-4-8-9-6(1)5;;/h4,7H,1-3H2,(H,8,9);2*1H.
What are the key properties of 4,5,6,7-tetrahydro-1H-pyrazolo[4,5-c]pyridine-1,5-diium dichloride?
4,5,6,7-tetrahydro-1H-pyrazolo[4,5-c]pyridine-1,5-diium dichloride has a molecular weight of 196.08 g/mol, XLogP of -8.22, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetrahydro-1H-pyrazolo[4,5-c]pyridine-1,5-diium dichloride is sourced from PubChem (CID 10997918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).