3a,4,7,7a-tetrahydro-3H-indazole

C7H10N2 — CID 57082614

IUPAC3a,4,7,7a-tetrahydro-3H-indazole
SMILESC1=CCC2N=NCC2C1
InChIInChI=1S/C7H10N2/c1-2-4-7-6(3-1)5-8-9-7/h1-2,6-7H,3-5H2
InChIKeyZWVNOTFJMMVWEN-UHFFFAOYSA-N
MW122.17 g/mol
LogP1.79
Rot. Bonds

About 3a,4,7,7a-tetrahydro-3H-indazole

3a,4,7,7a-tetrahydro-3H-indazole (PubChem CID 57082614) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is 3a,4,7,7a-tetrahydro-3H-indazole.

Molecular Properties

Compound Name3a,4,7,7a-tetrahydro-3H-indazole
PubChem CID57082614
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name3a,4,7,7a-tetrahydro-3H-indazole
SMILESC1=CCC2N=NCC2C1
InChIInChI=1S/C7H10N2/c1-2-4-7-6(3-1)5-8-9-7/h1-2,6-7H,3-5H2
InChIKeyZWVNOTFJMMVWEN-UHFFFAOYSA-N
XLogP1.79
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 ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(Azidomethyl)cyclohexene
CID 118272396
4-(Azidomethyl)cyclohex-1-ene
CID 13512614
3a,4,5,7a-tetrahydro-3H-indazole
CID 13594555
3,4,4a,5,8,8a-Hexahydrocinnoline
CID 56981779
1-(2-azidopropyl)-5-methyl-4,5-dihydro-1H-indene
CID 56982295
5-Azidobicyclo[2.2.1]hept-2-ene
CID 85290580
3-(2-Azidoethyl)cyclopentene
CID 89848796
3a,4,7,7a-tetrahydro-3H-indazol-7-amine
CID 90815776
3,4,4a,7,8,8a-Hexahydrocinnoline
CID 90874658
3a,6,7,7a-tetrahydro-3H-indazole
CID 91458428
3,4,4a,5,6,8a-Hexahydrocinnoline
CID 91560605
3-propyl-3a,7a-dihydro-3H-indazole
CID 118017462

Frequently Asked Questions

What is the IUPAC name of 3a,4,7,7a-tetrahydro-3H-indazole?
The IUPAC name of 3a,4,7,7a-tetrahydro-3H-indazole (CID 57082614) is 3a,4,7,7a-tetrahydro-3H-indazole.
What is the SMILES notation for 3a,4,7,7a-tetrahydro-3H-indazole?
The canonical SMILES for 3a,4,7,7a-tetrahydro-3H-indazole is C1=CCC2N=NCC2C1.
What is the InChIKey of 3a,4,7,7a-tetrahydro-3H-indazole?
The InChIKey is ZWVNOTFJMMVWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2/c1-2-4-7-6(3-1)5-8-9-7/h1-2,6-7H,3-5H2.
What are the key properties of 3a,4,7,7a-tetrahydro-3H-indazole?
3a,4,7,7a-tetrahydro-3H-indazole has a molecular weight of 122.17 g/mol, XLogP of 1.79, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3a,4,7,7a-tetrahydro-3H-indazole is sourced from PubChem (CID 57082614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).