3,5,6,7-tetrahydro-2H-indazole

C7H10N2 — CID 90891826

IUPAC3,5,6,7-tetrahydro-2H-indazole
SMILESC1=C2CNN=C2CCC1
InChIInChI=1S/C7H10N2/c1-2-4-7-6(3-1)5-8-9-7/h3,8H,1-2,4-5H2
InChIKeyDGWJCYJASPCGFD-UHFFFAOYSA-N
MW122.17 g/mol
LogP1.06
Rot. Bonds

About 3,5,6,7-tetrahydro-2H-indazole

3,5,6,7-tetrahydro-2H-indazole (PubChem CID 90891826) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is 3,5,6,7-tetrahydro-2H-indazole.

Molecular Properties

Compound Name3,5,6,7-tetrahydro-2H-indazole
PubChem CID90891826
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name3,5,6,7-tetrahydro-2H-indazole
SMILESC1=C2CNN=C2CCC1
InChIInChI=1S/C7H10N2/c1-2-4-7-6(3-1)5-8-9-7/h3,8H,1-2,4-5H2
InChIKeyDGWJCYJASPCGFD-UHFFFAOYSA-N
XLogP1.06
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,5,6,7-tetrahydro-2H-indazole 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 3,5,6,7-tetrahydro-2H-indazole?
The IUPAC name of 3,5,6,7-tetrahydro-2H-indazole (CID 90891826) is 3,5,6,7-tetrahydro-2H-indazole.
What is the SMILES notation for 3,5,6,7-tetrahydro-2H-indazole?
The canonical SMILES for 3,5,6,7-tetrahydro-2H-indazole is C1=C2CNN=C2CCC1.
What is the InChIKey of 3,5,6,7-tetrahydro-2H-indazole?
The InChIKey is DGWJCYJASPCGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2/c1-2-4-7-6(3-1)5-8-9-7/h3,8H,1-2,4-5H2.
What are the key properties of 3,5,6,7-tetrahydro-2H-indazole?
3,5,6,7-tetrahydro-2H-indazole has a molecular weight of 122.17 g/mol, XLogP of 1.06, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6,7-tetrahydro-2H-indazole is sourced from PubChem (CID 90891826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).