5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-4-ium

C7H11N2+ — CID 140699829

IUPAC5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-4-ium
SMILESc1cn2[n+](c1)CCCC2
InChIInChI=1S/C7H11N2/c1-2-5-9-7-3-6-8(9)4-1/h3,6-7H,1-2,4-5H2/q+1
InChIKeySNVCWHDZKRFFAC-UHFFFAOYSA-N
MW123.18 g/mol
LogP0.57
Rot. Bonds

About 5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-4-ium

5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-4-ium (PubChem CID 140699829) has the molecular formula C7H11N2+ and a molecular weight of 123.18 g/mol. Its IUPAC name is 5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-4-ium.

Molecular Properties

Compound Name5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-4-ium
PubChem CID140699829
Molecular FormulaC7H11N2+
Molecular Weight123.18 g/mol
Exact Mass123.09
IUPAC Name5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-4-ium
SMILESc1cn2[n+](c1)CCCC2
InChIInChI=1S/C7H11N2/c1-2-5-9-7-3-6-8(9)4-1/h3,6-7H,1-2,4-5H2/q+1
InChIKeySNVCWHDZKRFFAC-UHFFFAOYSA-N
XLogP0.57
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.18
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-4-ium?
The IUPAC name of 5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-4-ium (CID 140699829) is 5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-4-ium.
What is the SMILES notation for 5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-4-ium?
The canonical SMILES for 5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-4-ium is c1cn2[n+](c1)CCCC2.
What is the InChIKey of 5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-4-ium?
The InChIKey is SNVCWHDZKRFFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N2/c1-2-5-9-7-3-6-8(9)4-1/h3,6-7H,1-2,4-5H2/q+1.
What are the key properties of 5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-4-ium?
5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-4-ium has a molecular weight of 123.18 g/mol, XLogP of 0.57, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-4-ium is sourced from PubChem (CID 140699829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).