3a,4,5,6-tetrahydro-3H-indazole

C7H10N2 — CID 123408800

IUPAC3a,4,5,6-tetrahydro-3H-indazole
SMILESC1=C2N=NCC2CCC1
InChIInChI=1S/C7H10N2/c1-2-4-7-6(3-1)5-8-9-7/h4,6H,1-3,5H2
InChIKeyDLJGYGPIIQFCLD-UHFFFAOYSA-N
MW122.17 g/mol
LogP2.14
Rot. Bonds

About 3a,4,5,6-tetrahydro-3H-indazole

3a,4,5,6-tetrahydro-3H-indazole (PubChem CID 123408800) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is 3a,4,5,6-tetrahydro-3H-indazole.

Molecular Properties

Compound Name3a,4,5,6-tetrahydro-3H-indazole
PubChem CID123408800
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name3a,4,5,6-tetrahydro-3H-indazole
SMILESC1=C2N=NCC2CCC1
InChIInChI=1S/C7H10N2/c1-2-4-7-6(3-1)5-8-9-7/h4,6H,1-3,5H2
InChIKeyDLJGYGPIIQFCLD-UHFFFAOYSA-N
XLogP2.14
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3a,4,5,7a-tetrahydro-3H-indazole
CID 13594555
3a,4,7,7a-tetrahydro-3H-indazole
CID 57082614
5-(4-methylpentyl)-3H-pyrazole
CID 89419461
3a,6,7,7a-tetrahydro-3H-indazole
CID 91458428
5,6-dihydro-4aH-cyclopenta[c]pyridazine
CID 123339314

Frequently Asked Questions

What is the IUPAC name of 3a,4,5,6-tetrahydro-3H-indazole?
The IUPAC name of 3a,4,5,6-tetrahydro-3H-indazole (CID 123408800) is 3a,4,5,6-tetrahydro-3H-indazole.
What is the SMILES notation for 3a,4,5,6-tetrahydro-3H-indazole?
The canonical SMILES for 3a,4,5,6-tetrahydro-3H-indazole is C1=C2N=NCC2CCC1.
What is the InChIKey of 3a,4,5,6-tetrahydro-3H-indazole?
The InChIKey is DLJGYGPIIQFCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2/c1-2-4-7-6(3-1)5-8-9-7/h4,6H,1-3,5H2.
What are the key properties of 3a,4,5,6-tetrahydro-3H-indazole?
3a,4,5,6-tetrahydro-3H-indazole has a molecular weight of 122.17 g/mol, XLogP of 2.14, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3a,4,5,6-tetrahydro-3H-indazole is sourced from PubChem (CID 123408800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).