6-pyridin-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole

C12H17N3 — CID 52987718

IUPAC6-pyridin-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole
SMILESc1ccc(C2CCC3CNNC3C2)nc1
InChIInChI=1S/C12H17N3/c1-2-6-13-11(3-1)9-4-5-10-8-14-15-12(10)7-9/h1-3,6,9-10,12,14-15H,4-5,7-8H2
InChIKeyUZMIEYCBOVWNHO-UHFFFAOYSA-N
MW203.29 g/mol
LogP1.44
Rot. Bonds1

About 6-pyridin-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole

6-pyridin-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole (PubChem CID 52987718) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 6-pyridin-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole.

Molecular Properties

Compound Name6-pyridin-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole
PubChem CID52987718
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name6-pyridin-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole
SMILESc1ccc(C2CCC3CNNC3C2)nc1
InChIInChI=1S/C12H17N3/c1-2-6-13-11(3-1)9-4-5-10-8-14-15-12(10)7-9/h1-3,6,9-10,12,14-15H,4-5,7-8H2
InChIKeyUZMIEYCBOVWNHO-UHFFFAOYSA-N
XLogP1.44
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-pyridin-2-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

Frequently Asked Questions

What is the IUPAC name of 6-pyridin-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole?
The IUPAC name of 6-pyridin-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole (CID 52987718) is 6-pyridin-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole.
What is the SMILES notation for 6-pyridin-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole?
The canonical SMILES for 6-pyridin-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole is c1ccc(C2CCC3CNNC3C2)nc1.
What is the InChIKey of 6-pyridin-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole?
The InChIKey is UZMIEYCBOVWNHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-2-6-13-11(3-1)9-4-5-10-8-14-15-12(10)7-9/h1-3,6,9-10,12,14-15H,4-5,7-8H2.
What are the key properties of 6-pyridin-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole?
6-pyridin-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole has a molecular weight of 203.29 g/mol, XLogP of 1.44, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyridin-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole is sourced from PubChem (CID 52987718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).