(4aS,8aS)-5-methyl-1,4,4a,6,7,8,8a,9-octahydropyrazolo[5,4-g]quinoline

C11H17N3 — CID 56635030

IUPAC(4aS,8aS)-5-methyl-1,4,4a,6,7,8,8a,9-octahydropyrazolo[5,4-g]quinoline
SMILESCN1CCC[C@H]2Cc3[nH]ncc3C[C@@H]21
InChIInChI=1S/C11H17N3/c1-14-4-2-3-8-5-10-9(6-11(8)14)7-12-13-10/h7-8,11H,2-6H2,1H3,(H,12,13)/t8-,11-/m0/s1
InChIKeyZWWUTJVKHKIVRC-KWQFWETISA-N
MW191.28 g/mol
LogP1.22
Rot. Bonds

About (4aS,8aS)-5-methyl-1,4,4a,6,7,8,8a,9-octahydropyrazolo[5,4-g]quinoline

(4aS,8aS)-5-methyl-1,4,4a,6,7,8,8a,9-octahydropyrazolo[5,4-g]quinoline (PubChem CID 56635030) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is (4aS,8aS)-5-methyl-1,4,4a,6,7,8,8a,9-octahydropyrazolo[5,4-g]quinoline.

Molecular Properties

Compound Name(4aS,8aS)-5-methyl-1,4,4a,6,7,8,8a,9-octahydropyrazolo[5,4-g]quinoline
PubChem CID56635030
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name(4aS,8aS)-5-methyl-1,4,4a,6,7,8,8a,9-octahydropyrazolo[5,4-g]quinoline
SMILESCN1CCC[C@H]2Cc3[nH]ncc3C[C@@H]21
InChIInChI=1S/C11H17N3/c1-14-4-2-3-8-5-10-9(6-11(8)14)7-12-13-10/h7-8,11H,2-6H2,1H3,(H,12,13)/t8-,11-/m0/s1
InChIKeyZWWUTJVKHKIVRC-KWQFWETISA-N
XLogP1.22
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4aS,8aS)-5-methyl-1,4,4a,6,7,8,8a,9-octahydropyrazolo[5,4-g]quinoline with MolForge

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Related Compounds

(4aR,8aR)-5-ethyl-1,4,4a,6,7,8,8a,9-octahydropyrazolo[5,4-g]quinoline
CID 70313944
(4aR)-5-propyl-1,4,4a,6,7,8,8a,9-octahydropyrazolo[5,4-g]quinoline;hydrochloride
CID 68652391
(4aS,8aS)-1,4,4a,6,7,8,8a,9-octahydropyrazolo[5,4-g]quinoline-5-carbonitrile
CID 56612748
(5aS,9aS)-6-methyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinazolin-2-amine
CID 18596266
(4aR,8aR)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 642630
(4aR)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 143862293
(4aR,10aR)-1-methyl-3,4,4a,5,10,10a-hexahydro-2H-benzo[g]quinoline-6,7-diol;hydrobromide
CID 66588710
ethyl (4aR,7R,8aR)-5-propyl-1,4,4a,6,7,8,8a,9-octahydropyrazolo[5,4-g]quinoline-7-carboxylate
CID 90296633
(4aR,8aR)-5-methyl-4a,6,7,8,8a,9-hexahydro-4H-[1,3]oxazolo[4,5-g]quinolin-2-amine;dihydrochloride
CID 67935687
(5-ethyl-1,4,4a,6,7,8,8a,9-octahydropyrazolo[5,4-g]quinolin-7-yl)methyl methanesulfonate;sulfuric acid
CID 20513243
N-methyl-1-(4,5,6,7-tetrahydro-1H-indazol-5-yl)methanamine
CID 84717090
(5R)-5-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole
CID 118699358

Frequently Asked Questions

What is the IUPAC name of (4aS,8aS)-5-methyl-1,4,4a,6,7,8,8a,9-octahydropyrazolo[5,4-g]quinoline?
The IUPAC name of (4aS,8aS)-5-methyl-1,4,4a,6,7,8,8a,9-octahydropyrazolo[5,4-g]quinoline (CID 56635030) is (4aS,8aS)-5-methyl-1,4,4a,6,7,8,8a,9-octahydropyrazolo[5,4-g]quinoline.
What is the SMILES notation for (4aS,8aS)-5-methyl-1,4,4a,6,7,8,8a,9-octahydropyrazolo[5,4-g]quinoline?
The canonical SMILES for (4aS,8aS)-5-methyl-1,4,4a,6,7,8,8a,9-octahydropyrazolo[5,4-g]quinoline is CN1CCC[C@H]2Cc3[nH]ncc3C[C@@H]21.
What is the InChIKey of (4aS,8aS)-5-methyl-1,4,4a,6,7,8,8a,9-octahydropyrazolo[5,4-g]quinoline?
The InChIKey is ZWWUTJVKHKIVRC-KWQFWETISA-N. The full InChI is InChI=1S/C11H17N3/c1-14-4-2-3-8-5-10-9(6-11(8)14)7-12-13-10/h7-8,11H,2-6H2,1H3,(H,12,13)/t8-,11-/m0/s1.
What are the key properties of (4aS,8aS)-5-methyl-1,4,4a,6,7,8,8a,9-octahydropyrazolo[5,4-g]quinoline?
(4aS,8aS)-5-methyl-1,4,4a,6,7,8,8a,9-octahydropyrazolo[5,4-g]quinoline has a molecular weight of 191.28 g/mol, XLogP of 1.22, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,8aS)-5-methyl-1,4,4a,6,7,8,8a,9-octahydropyrazolo[5,4-g]quinoline is sourced from PubChem (CID 56635030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).