6,7-dihydro-3aH-indazole

C7H8N2 — CID 173072405

IUPAC6,7-dihydro-3aH-indazole
SMILESC1=CC2C=NN=C2CC1
InChIInChI=1S/C7H8N2/c1-2-4-7-6(3-1)5-8-9-7/h1,3,5-6H,2,4H2
InChIKeyAOYVVCLOWKQBEX-UHFFFAOYSA-N
MW120.15 g/mol
LogP1.39
Rot. Bonds

About 6,7-dihydro-3aH-indazole

6,7-dihydro-3aH-indazole (PubChem CID 173072405) has the molecular formula C7H8N2 and a molecular weight of 120.15 g/mol. Its IUPAC name is 6,7-dihydro-3aH-indazole.

Molecular Properties

Compound Name6,7-dihydro-3aH-indazole
PubChem CID173072405
Molecular FormulaC7H8N2
Molecular Weight120.15 g/mol
Exact Mass120.07
IUPAC Name6,7-dihydro-3aH-indazole
SMILESC1=CC2C=NN=C2CC1
InChIInChI=1S/C7H8N2/c1-2-4-7-6(3-1)5-8-9-7/h1,3,5-6H,2,4H2
InChIKeyAOYVVCLOWKQBEX-UHFFFAOYSA-N
XLogP1.39
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.15
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-3aH-indazole?
The IUPAC name of 6,7-dihydro-3aH-indazole (CID 173072405) is 6,7-dihydro-3aH-indazole.
What is the SMILES notation for 6,7-dihydro-3aH-indazole?
The canonical SMILES for 6,7-dihydro-3aH-indazole is C1=CC2C=NN=C2CC1.
What is the InChIKey of 6,7-dihydro-3aH-indazole?
The InChIKey is AOYVVCLOWKQBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2/c1-2-4-7-6(3-1)5-8-9-7/h1,3,5-6H,2,4H2.
What are the key properties of 6,7-dihydro-3aH-indazole?
6,7-dihydro-3aH-indazole has a molecular weight of 120.15 g/mol, XLogP of 1.39, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-3aH-indazole is sourced from PubChem (CID 173072405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).