3a,6,7,7a-tetrahydro-3H-indazole

C7H10N2 — CID 91458428

IUPAC3a,6,7,7a-tetrahydro-3H-indazole
SMILESC1=CC2CN=NC2CC1
InChIInChI=1S/C7H10N2/c1-2-4-7-6(3-1)5-8-9-7/h1,3,6-7H,2,4-5H2
InChIKeyAJIMMFNMCARVSV-UHFFFAOYSA-N
MW122.17 g/mol
LogP1.79
Rot. Bonds

About 3a,6,7,7a-tetrahydro-3H-indazole

3a,6,7,7a-tetrahydro-3H-indazole (PubChem CID 91458428) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is 3a,6,7,7a-tetrahydro-3H-indazole.

Molecular Properties

Compound Name3a,6,7,7a-tetrahydro-3H-indazole
PubChem CID91458428
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name3a,6,7,7a-tetrahydro-3H-indazole
SMILESC1=CC2CN=NC2CC1
InChIInChI=1S/C7H10N2/c1-2-4-7-6(3-1)5-8-9-7/h1,3,6-7H,2,4-5H2
InChIKeyAJIMMFNMCARVSV-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
3a,4,7,7a-tetrahydro-3H-indazole
CID 57082614
3-(2-Azidoethyl)cyclopentene
CID 89848796
3a,4,7,7a-tetrahydro-3H-indazol-7-amine
CID 90815776
3-propyl-3a,7a-dihydro-3H-indazole
CID 118017462
3a,4,5,6-tetrahydro-3H-indazole
CID 123408800
(4R)-4-(azidomethyl)cyclohexene
CID 169041253
(4R)-4-[(1S)-1-azidoprop-2-enyl]cyclohexene
CID 175745910
6-Azidobicyclo[3.1.0]hex-2-ene
CID 129984902
7-Azidobicyclo[2.2.1]hept-2-ene
CID 130004496

Frequently Asked Questions

What is the IUPAC name of 3a,6,7,7a-tetrahydro-3H-indazole?
The IUPAC name of 3a,6,7,7a-tetrahydro-3H-indazole (CID 91458428) is 3a,6,7,7a-tetrahydro-3H-indazole.
What is the SMILES notation for 3a,6,7,7a-tetrahydro-3H-indazole?
The canonical SMILES for 3a,6,7,7a-tetrahydro-3H-indazole is C1=CC2CN=NC2CC1.
What is the InChIKey of 3a,6,7,7a-tetrahydro-3H-indazole?
The InChIKey is AJIMMFNMCARVSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2/c1-2-4-7-6(3-1)5-8-9-7/h1,3,6-7H,2,4-5H2.
What are the key properties of 3a,6,7,7a-tetrahydro-3H-indazole?
3a,6,7,7a-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,6,7,7a-tetrahydro-3H-indazole is sourced from PubChem (CID 91458428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).