2-methyl-4,5,6,7-tetrahydropyrazolo[3,4-b]pyridine

C7H11N3 — CID 137120089

IUPAC2-methyl-4,5,6,7-tetrahydropyrazolo[3,4-b]pyridine
SMILESCn1cc2c(n1)NCCC2
InChIInChI=1S/C7H11N3/c1-10-5-6-3-2-4-8-7(6)9-10/h5H,2-4H2,1H3,(H,8,9)
InChIKeyVRMXFUSFSPLGKR-UHFFFAOYSA-N
MW137.19 g/mol
LogP0.78
Rot. Bonds

About 2-methyl-4,5,6,7-tetrahydropyrazolo[3,4-b]pyridine

2-methyl-4,5,6,7-tetrahydropyrazolo[3,4-b]pyridine (PubChem CID 137120089) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is 2-methyl-4,5,6,7-tetrahydropyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name2-methyl-4,5,6,7-tetrahydropyrazolo[3,4-b]pyridine
PubChem CID137120089
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC Name2-methyl-4,5,6,7-tetrahydropyrazolo[3,4-b]pyridine
SMILESCn1cc2c(n1)NCCC2
InChIInChI=1S/C7H11N3/c1-10-5-6-3-2-4-8-7(6)9-10/h5H,2-4H2,1H3,(H,8,9)
InChIKeyVRMXFUSFSPLGKR-UHFFFAOYSA-N
XLogP0.78
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.19
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-4,5,6,7-tetrahydropyrazolo[3,4-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4,5,6,7-tetrahydropyrazolo[3,4-b]pyridine?
The IUPAC name of 2-methyl-4,5,6,7-tetrahydropyrazolo[3,4-b]pyridine (CID 137120089) is 2-methyl-4,5,6,7-tetrahydropyrazolo[3,4-b]pyridine.
What is the SMILES notation for 2-methyl-4,5,6,7-tetrahydropyrazolo[3,4-b]pyridine?
The canonical SMILES for 2-methyl-4,5,6,7-tetrahydropyrazolo[3,4-b]pyridine is Cn1cc2c(n1)NCCC2.
What is the InChIKey of 2-methyl-4,5,6,7-tetrahydropyrazolo[3,4-b]pyridine?
The InChIKey is VRMXFUSFSPLGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3/c1-10-5-6-3-2-4-8-7(6)9-10/h5H,2-4H2,1H3,(H,8,9).
What are the key properties of 2-methyl-4,5,6,7-tetrahydropyrazolo[3,4-b]pyridine?
2-methyl-4,5,6,7-tetrahydropyrazolo[3,4-b]pyridine has a molecular weight of 137.19 g/mol, XLogP of 0.78, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4,5,6,7-tetrahydropyrazolo[3,4-b]pyridine is sourced from PubChem (CID 137120089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).