3aH-pyrazolo[3,4-b]pyridine

C6H5N3 — CID 152744460

IUPAC3aH-pyrazolo[3,4-b]pyridine
SMILESC1=CC2C=NN=C2N=C1
InChIInChI=1S/C6H5N3/c1-2-5-4-8-9-6(5)7-3-1/h1-5H
InChIKeyXCQNNQVNGVVIIE-UHFFFAOYSA-N
MW119.13 g/mol
LogP0.64
Rot. Bonds

About 3aH-pyrazolo[3,4-b]pyridine

3aH-pyrazolo[3,4-b]pyridine (PubChem CID 152744460) has the molecular formula C6H5N3 and a molecular weight of 119.13 g/mol. Its IUPAC name is 3aH-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name3aH-pyrazolo[3,4-b]pyridine
PubChem CID152744460
Molecular FormulaC6H5N3
Molecular Weight119.13 g/mol
Exact Mass119.05
IUPAC Name3aH-pyrazolo[3,4-b]pyridine
SMILESC1=CC2C=NN=C2N=C1
InChIInChI=1S/C6H5N3/c1-2-5-4-8-9-6(5)7-3-1/h1-5H
InChIKeyXCQNNQVNGVVIIE-UHFFFAOYSA-N
XLogP0.64
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.13
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2H-Imidazo[4,5-B]pyridine
CID 20072810
2H-Pyrrolo[2,3-B]pyridine
CID 56972323
Imidazo[4,5-b]pyridin-1-ium
CID 57493739
3aH-pyrrolo[2,3-b]pyridine
CID 58286487
3H-pyridin-3-ylium-6-ylideneazanide
CID 102589582
4,6-dideuterio-5H-pyrazolo[3,4-b]pyridine
CID 177761991
CID 15799113
CID 15799113
3,3a-dihydro-2H-pyrrolo[2,3-b]pyridine
CID 178185805
CID 178204130
CID 178204130

Frequently Asked Questions

What is the IUPAC name of 3aH-pyrazolo[3,4-b]pyridine?
The IUPAC name of 3aH-pyrazolo[3,4-b]pyridine (CID 152744460) is 3aH-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 3aH-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 3aH-pyrazolo[3,4-b]pyridine is C1=CC2C=NN=C2N=C1.
What is the InChIKey of 3aH-pyrazolo[3,4-b]pyridine?
The InChIKey is XCQNNQVNGVVIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3/c1-2-5-4-8-9-6(5)7-3-1/h1-5H.
What are the key properties of 3aH-pyrazolo[3,4-b]pyridine?
3aH-pyrazolo[3,4-b]pyridine has a molecular weight of 119.13 g/mol, XLogP of 0.64, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3aH-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 152744460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).