(8aR)-4,4a,5,6,7,8,8a,9-octahydro-1H-pyrazolo[5,4-g]quinoline;dihydrochloride

C10H17Cl2N3 — CID 45262329

IUPAC(8aR)-4,4a,5,6,7,8,8a,9-octahydro-1H-pyrazolo[5,4-g]quinoline;dihydrochloride
SMILESCl.Cl.c1n[nH]c2c1CC1NCCC[C@@H]1C2
InChIInChI=1S/C10H15N3.2ClH/c1-2-7-4-10-8(6-12-13-10)5-9(7)11-3-1;;/h6-7,9,11H,1-5H2,(H,12,13);2*1H/t7-,9?;;/m1../s1
InChIKeyQZLFZLQXMJIICI-UBBKGMOHSA-N
MW250.17 g/mol
LogP1.72
Rot. Bonds

About (8aR)-4,4a,5,6,7,8,8a,9-octahydro-1H-pyrazolo[5,4-g]quinoline;dihydrochloride

(8aR)-4,4a,5,6,7,8,8a,9-octahydro-1H-pyrazolo[5,4-g]quinoline;dihydrochloride (PubChem CID 45262329) has the molecular formula C10H17Cl2N3 and a molecular weight of 250.17 g/mol. Its IUPAC name is (8aR)-4,4a,5,6,7,8,8a,9-octahydro-1H-pyrazolo[5,4-g]quinoline;dihydrochloride.

Molecular Properties

Compound Name(8aR)-4,4a,5,6,7,8,8a,9-octahydro-1H-pyrazolo[5,4-g]quinoline;dihydrochloride
PubChem CID45262329
Molecular FormulaC10H17Cl2N3
Molecular Weight250.17 g/mol
Exact Mass249.08
IUPAC Name(8aR)-4,4a,5,6,7,8,8a,9-octahydro-1H-pyrazolo[5,4-g]quinoline;dihydrochloride
SMILESCl.Cl.c1n[nH]c2c1CC1NCCC[C@@H]1C2
InChIInChI=1S/C10H15N3.2ClH/c1-2-7-4-10-8(6-12-13-10)5-9(7)11-3-1;;/h6-7,9,11H,1-5H2,(H,12,13);2*1H/t7-,9?;;/m1../s1
InChIKeyQZLFZLQXMJIICI-UBBKGMOHSA-N
XLogP1.72
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.17
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (8aR)-4,4a,5,6,7,8,8a,9-octahydro-1H-pyrazolo[5,4-g]quinoline;dihydrochloride with MolForge

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Related Compounds

Quinpirole
CID 54562
(-)-Quinpirole hydrochloride
CID 55397
Propyl-(4,5,6,7-tetrahydro-2H-indazol-5-yl)-amine
CID 14539719
2H-Indazol-5-amine, N-ethyl-4,5,6,7-tetrahydro-
CID 14539718
5-Propyl-1,4,4a,6,7,8,8a,9-octahydropyrazolo[3,4-g]quinoline
CID 1257
Dipropyl-(4,5,6,7-tetrahydro-2H-indazol-5-yl)-amine
CID 12898419
(8aR)-5-propyl-1,4,4a,6,7,8,8a,9-octahydropyrazolo[5,4-g]quinoline
CID 24867528
1H-Pyrazolo(3,4-g)quinoline, 4,4a,5,6,7,8,8a,9-octahydro-5-propyl-, dihydrochloride, trans-(+-)-
CID 3057788
4,5,6,7-tetrahydro-1H-indazol-5-amine dihydrochloride
CID 13036532
5-Propyl-1,4,4a,6,7,8,8a,9-octahydropyrazolo[5,4-g]quinoline;dihydrochloride
CID 9994453
Butyl-propyl-(4,5,6,7-tetrahydro-2H-indazol-5-yl)-amine
CID 14539725
(4aR)-7-(methylsulfanylmethyl)-5-propyl-1,4,4a,6,7,8,8a,9-octahydropyrazolo[5,4-g]quinoline
CID 44288218

Frequently Asked Questions

What is the IUPAC name of (8aR)-4,4a,5,6,7,8,8a,9-octahydro-1H-pyrazolo[5,4-g]quinoline;dihydrochloride?
The IUPAC name of (8aR)-4,4a,5,6,7,8,8a,9-octahydro-1H-pyrazolo[5,4-g]quinoline;dihydrochloride (CID 45262329) is (8aR)-4,4a,5,6,7,8,8a,9-octahydro-1H-pyrazolo[5,4-g]quinoline;dihydrochloride.
What is the SMILES notation for (8aR)-4,4a,5,6,7,8,8a,9-octahydro-1H-pyrazolo[5,4-g]quinoline;dihydrochloride?
The canonical SMILES for (8aR)-4,4a,5,6,7,8,8a,9-octahydro-1H-pyrazolo[5,4-g]quinoline;dihydrochloride is Cl.Cl.c1n[nH]c2c1CC1NCCC[C@@H]1C2.
What is the InChIKey of (8aR)-4,4a,5,6,7,8,8a,9-octahydro-1H-pyrazolo[5,4-g]quinoline;dihydrochloride?
The InChIKey is QZLFZLQXMJIICI-UBBKGMOHSA-N. The full InChI is InChI=1S/C10H15N3.2ClH/c1-2-7-4-10-8(6-12-13-10)5-9(7)11-3-1;;/h6-7,9,11H,1-5H2,(H,12,13);2*1H/t7-,9?;;/m1../s1.
What are the key properties of (8aR)-4,4a,5,6,7,8,8a,9-octahydro-1H-pyrazolo[5,4-g]quinoline;dihydrochloride?
(8aR)-4,4a,5,6,7,8,8a,9-octahydro-1H-pyrazolo[5,4-g]quinoline;dihydrochloride has a molecular weight of 250.17 g/mol, XLogP of 1.72, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8aR)-4,4a,5,6,7,8,8a,9-octahydro-1H-pyrazolo[5,4-g]quinoline;dihydrochloride is sourced from PubChem (CID 45262329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).