2,3,4,4a,6,7,8,9-octahydro-1H-pyridazino[1,2-a]indazole

C11H18N2 — CID 176656439

IUPAC2,3,4,4a,6,7,8,9-octahydro-1H-pyridazino[1,2-a]indazole
SMILESC1=C2CCCCC2N2CCCCN12
InChIInChI=1S/C11H18N2/c1-2-6-11-10(5-1)9-12-7-3-4-8-13(11)12/h9,11H,1-8H2
InChIKeyQHWKJTBRGBBDQM-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.14
Rot. Bonds

About 2,3,4,4a,6,7,8,9-octahydro-1H-pyridazino[1,2-a]indazole

2,3,4,4a,6,7,8,9-octahydro-1H-pyridazino[1,2-a]indazole (PubChem CID 176656439) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 2,3,4,4a,6,7,8,9-octahydro-1H-pyridazino[1,2-a]indazole.

Molecular Properties

Compound Name2,3,4,4a,6,7,8,9-octahydro-1H-pyridazino[1,2-a]indazole
PubChem CID176656439
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name2,3,4,4a,6,7,8,9-octahydro-1H-pyridazino[1,2-a]indazole
SMILESC1=C2CCCCC2N2CCCCN12
InChIInChI=1S/C11H18N2/c1-2-6-11-10(5-1)9-12-7-3-4-8-13(11)12/h9,11H,1-8H2
InChIKeyQHWKJTBRGBBDQM-UHFFFAOYSA-N
XLogP2.14
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,3,4,4a,6,7,8,9-octahydro-1H-pyridazino[1,2-a]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

1-[5-(1-methylpiperidin-2-yl)-3,4-dihydro-2H-pyridin-1-yl]ethanone
CID 11218329
(4aS,4bR)-1,2,3,4,4a,4b,5,6,7,8-decahydrophenanthrene
CID 12714337
(8aR)-1-methyl-2,5,6,7,8,8a-hexahydroquinolin-3-one
CID 131042687
(1E)-1-cyclohexylcyclododecene
CID 139760943
(1E)-1-cyclohexylcyclodecene
CID 139760930
2,3,4,4a,6,7-hexahydro-1H-isoquinolino[2,1-a]quinoline
CID 148547429
2-(azetidin-1-yl)cyclohexan-1-one;benzene
CID 156803276
N-(2-pyrrolidin-1-ylcyclohexylidene)hydroxylamine
CID 57365541
(NZ)-N-[2-(azepan-1-yl)cyclohexylidene]hydroxylamine
CID 6380954
(3R,10S)-1,8-diazatricyclo[8.4.0.03,8]tetradecane-2,9-dione
CID 97436024
1-(2-oxocyclohexyl)azetidin-2-one
CID 22079671
(1S,8aR)-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-ol
CID 101144558

Frequently Asked Questions

What is the IUPAC name of 2,3,4,4a,6,7,8,9-octahydro-1H-pyridazino[1,2-a]indazole?
The IUPAC name of 2,3,4,4a,6,7,8,9-octahydro-1H-pyridazino[1,2-a]indazole (CID 176656439) is 2,3,4,4a,6,7,8,9-octahydro-1H-pyridazino[1,2-a]indazole.
What is the SMILES notation for 2,3,4,4a,6,7,8,9-octahydro-1H-pyridazino[1,2-a]indazole?
The canonical SMILES for 2,3,4,4a,6,7,8,9-octahydro-1H-pyridazino[1,2-a]indazole is C1=C2CCCCC2N2CCCCN12.
What is the InChIKey of 2,3,4,4a,6,7,8,9-octahydro-1H-pyridazino[1,2-a]indazole?
The InChIKey is QHWKJTBRGBBDQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-2-6-11-10(5-1)9-12-7-3-4-8-13(11)12/h9,11H,1-8H2.
What are the key properties of 2,3,4,4a,6,7,8,9-octahydro-1H-pyridazino[1,2-a]indazole?
2,3,4,4a,6,7,8,9-octahydro-1H-pyridazino[1,2-a]indazole has a molecular weight of 178.28 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 2,3,4,4a,6,7,8,9-octahydro-1H-pyridazino[1,2-a]indazole is sourced from PubChem (CID 176656439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).