3-(1,2,3,6-tetrahydropyridin-5-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole

C12H21N3 — CID 176569703

IUPAC3-(1,2,3,6-tetrahydropyridin-5-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole
SMILESC1=C(C2NNC3CCCCC32)CNCC1
InChIInChI=1S/C12H21N3/c1-2-6-11-10(5-1)12(15-14-11)9-4-3-7-13-8-9/h4,10-15H,1-3,5-8H2
InChIKeyPLGKVQOJZABZCC-UHFFFAOYSA-N
MW207.32 g/mol
LogP0.94
Rot. Bonds1

About 3-(1,2,3,6-tetrahydropyridin-5-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole

3-(1,2,3,6-tetrahydropyridin-5-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole (PubChem CID 176569703) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 3-(1,2,3,6-tetrahydropyridin-5-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole.

Molecular Properties

Compound Name3-(1,2,3,6-tetrahydropyridin-5-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole
PubChem CID176569703
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name3-(1,2,3,6-tetrahydropyridin-5-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole
SMILESC1=C(C2NNC3CCCCC32)CNCC1
InChIInChI=1S/C12H21N3/c1-2-6-11-10(5-1)12(15-14-11)9-4-3-7-13-8-9/h4,10-15H,1-3,5-8H2
InChIKeyPLGKVQOJZABZCC-UHFFFAOYSA-N
XLogP0.94
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(1,2,3,6-tetrahydropyridin-5-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,7-difluoro-3-(1,2,3,6-tetrahydropyridin-5-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole
CID 176569428
1-methyl-7-methylidene-3,3a,4,5,6,7a-hexahydro-2H-indazole
CID 90846587
1,3-dimethyl-5-methylidene-3,3a,4,6,7,7a-hexahydro-2H-indazole
CID 91137495
1-ethyl-5-methylidene-3,3a,4,6,7,7a-hexahydro-2H-indazole
CID 91361943
2-(2,3,7,7a-tetrahydro-1H-indol-3-yl)ethylhydrazine
CID 118548943
10-Pentyl-5,6-diazatricyclo[7.3.0.02,6]dodec-1(12)-ene
CID 143720884
1,3-dimethyl-4-methylidene-3,3a,5,6,7,7a-hexahydro-2H-indazole
CID 146293917
7-[(2R)-azetidin-2-yl]-3-(1,2,3,6-tetrahydropyridin-5-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole
CID 176569201
3-[(3S)-3-methyl-1,2,3,6-tetrahydropyridin-5-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyridine
CID 176569229
3-[(3S)-3-methyl-1,2,3,6-tetrahydropyridin-5-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole
CID 176569581
2,3,4,4a,6,7,8,8a,9,9a-decahydro-1H-carbazole
CID 129927821

Frequently Asked Questions

What is the IUPAC name of 3-(1,2,3,6-tetrahydropyridin-5-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole?
The IUPAC name of 3-(1,2,3,6-tetrahydropyridin-5-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole (CID 176569703) is 3-(1,2,3,6-tetrahydropyridin-5-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole.
What is the SMILES notation for 3-(1,2,3,6-tetrahydropyridin-5-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole?
The canonical SMILES for 3-(1,2,3,6-tetrahydropyridin-5-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole is C1=C(C2NNC3CCCCC32)CNCC1.
What is the InChIKey of 3-(1,2,3,6-tetrahydropyridin-5-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole?
The InChIKey is PLGKVQOJZABZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-2-6-11-10(5-1)12(15-14-11)9-4-3-7-13-8-9/h4,10-15H,1-3,5-8H2.
What are the key properties of 3-(1,2,3,6-tetrahydropyridin-5-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole?
3-(1,2,3,6-tetrahydropyridin-5-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole has a molecular weight of 207.32 g/mol, XLogP of 0.94, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,3,6-tetrahydropyridin-5-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole is sourced from PubChem (CID 176569703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).