5,6,7,7a-tetrahydro-1H-indazole

C7H10N2 — CID 129058813

IUPAC5,6,7,7a-tetrahydro-1H-indazole
SMILESC1=NNC2CCCC=C12
InChIInChI=1S/C7H10N2/c1-2-4-7-6(3-1)5-8-9-7/h3,5,7,9H,1-2,4H2
InChIKeyHLTDWWWMGLITMV-UHFFFAOYSA-N
MW122.17 g/mol
LogP1.05
Rot. Bonds

About 5,6,7,7a-tetrahydro-1H-indazole

5,6,7,7a-tetrahydro-1H-indazole (PubChem CID 129058813) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is 5,6,7,7a-tetrahydro-1H-indazole.

Molecular Properties

Compound Name5,6,7,7a-tetrahydro-1H-indazole
PubChem CID129058813
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name5,6,7,7a-tetrahydro-1H-indazole
SMILESC1=NNC2CCCC=C12
InChIInChI=1S/C7H10N2/c1-2-4-7-6(3-1)5-8-9-7/h3,5,7,9H,1-2,4H2
InChIKeyHLTDWWWMGLITMV-UHFFFAOYSA-N
XLogP1.05
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 ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6,7,7a-tetrahydro-1H-indazole?
The IUPAC name of 5,6,7,7a-tetrahydro-1H-indazole (CID 129058813) is 5,6,7,7a-tetrahydro-1H-indazole.
What is the SMILES notation for 5,6,7,7a-tetrahydro-1H-indazole?
The canonical SMILES for 5,6,7,7a-tetrahydro-1H-indazole is C1=NNC2CCCC=C12.
What is the InChIKey of 5,6,7,7a-tetrahydro-1H-indazole?
The InChIKey is HLTDWWWMGLITMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2/c1-2-4-7-6(3-1)5-8-9-7/h3,5,7,9H,1-2,4H2.
What are the key properties of 5,6,7,7a-tetrahydro-1H-indazole?
5,6,7,7a-tetrahydro-1H-indazole has a molecular weight of 122.17 g/mol, XLogP of 1.05, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,7a-tetrahydro-1H-indazole is sourced from PubChem (CID 129058813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).