4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-2-ium

C6H8N3+ — CID 123203336

IUPAC4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-2-ium
SMILESC1=[N+]=NC2=C1CNCC2
InChIInChI=1S/C6H8N3/c1-2-7-3-5-4-8-9-6(1)5/h4,7H,1-3H2/q+1
InChIKeyQYKIBSHEUFGAEA-UHFFFAOYSA-N
MW122.15 g/mol
LogP-0.02
Rot. Bonds

About 4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-2-ium

4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-2-ium (PubChem CID 123203336) has the molecular formula C6H8N3+ and a molecular weight of 122.15 g/mol. Its IUPAC name is 4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-2-ium.

Molecular Properties

Compound Name4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-2-ium
PubChem CID123203336
Molecular FormulaC6H8N3+
Molecular Weight122.15 g/mol
Exact Mass122.07
IUPAC Name4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-2-ium
SMILESC1=[N+]=NC2=C1CNCC2
InChIInChI=1S/C6H8N3/c1-2-7-3-5-4-8-9-6(1)5/h4,7H,1-3H2/q+1
InChIKeyQYKIBSHEUFGAEA-UHFFFAOYSA-N
XLogP-0.02
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.15
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

4,5,6,7-tetrahydro-3H-pyrazolo[4,3-c]pyridine
CID 55208578
5-Methanimidoyl-1,2,3,6-tetrahydropyridin-4-amine
CID 89122717
3,7-Diazabicyclo[4.2.0]octa-1(6),7-diene
CID 117981270
(4-Amino-1,2,3,6-tetrahydropyridin-5-yl)methylideneazanium
CID 149247962
5-(Methyliminomethyl)-1,2,3,6-tetrahydropyridin-4-amine
CID 166548505
4,5,6,7-tetrahydro-1H-pyrazolo[4,5-c]pyridine-1,5-diium dichloride
CID 10997918
4,5,6,7-tetrahydro-3H-pyrrolo[3,2-c]pyridine
CID 157052418
4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridine
CID 157084128

Frequently Asked Questions

What is the IUPAC name of 4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-2-ium?
The IUPAC name of 4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-2-ium (CID 123203336) is 4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-2-ium.
What is the SMILES notation for 4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-2-ium?
The canonical SMILES for 4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-2-ium is C1=[N+]=NC2=C1CNCC2.
What is the InChIKey of 4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-2-ium?
The InChIKey is QYKIBSHEUFGAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N3/c1-2-7-3-5-4-8-9-6(1)5/h4,7H,1-3H2/q+1.
What are the key properties of 4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-2-ium?
4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-2-ium has a molecular weight of 122.15 g/mol, XLogP of -0.02, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-2-ium is sourced from PubChem (CID 123203336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).