1-methoxy-3-methyl-6,7,8,9-tetrahydropyridazino[1,2-a]indazol-10-ium

C13H17N2O+ — CID 71763892

IUPAC1-methoxy-3-methyl-6,7,8,9-tetrahydropyridazino[1,2-a]indazol-10-ium
SMILESCOc1cc(C)cc2c1c[n+]1n2CCCC1
InChIInChI=1S/C13H17N2O/c1-10-7-12-11(13(8-10)16-2)9-14-5-3-4-6-15(12)14/h7-9H,3-6H2,1-2H3/q+1
InChIKeyJSHCZILBYOPDBD-UHFFFAOYSA-N
MW217.29 g/mol
LogP2.04
Rot. Bonds1

About 1-methoxy-3-methyl-6,7,8,9-tetrahydropyridazino[1,2-a]indazol-10-ium

1-methoxy-3-methyl-6,7,8,9-tetrahydropyridazino[1,2-a]indazol-10-ium (PubChem CID 71763892) has the molecular formula C13H17N2O+ and a molecular weight of 217.29 g/mol. Its IUPAC name is 1-methoxy-3-methyl-6,7,8,9-tetrahydropyridazino[1,2-a]indazol-10-ium.

Molecular Properties

Compound Name1-methoxy-3-methyl-6,7,8,9-tetrahydropyridazino[1,2-a]indazol-10-ium
PubChem CID71763892
Molecular FormulaC13H17N2O+
Molecular Weight217.29 g/mol
Exact Mass217.13
IUPAC Name1-methoxy-3-methyl-6,7,8,9-tetrahydropyridazino[1,2-a]indazol-10-ium
SMILESCOc1cc(C)cc2c1c[n+]1n2CCCC1
InChIInChI=1S/C13H17N2O/c1-10-7-12-11(13(8-10)16-2)9-14-5-3-4-6-15(12)14/h7-9H,3-6H2,1-2H3/q+1
InChIKeyJSHCZILBYOPDBD-UHFFFAOYSA-N
XLogP2.04
TPSA18.04 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

(S)-2-(6-methoxyindazol-1-yl)-1-methylethylamine
CID 11708275
(5-Methoxy-indol-1-yl)-propyl-pyridin-4-yl-amine
CID 10731528
1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methoxyindazole;dihydrochloride
CID 90664845
5-methoxy-6-pyridin-4-yl-1H-indazole
CID 166635017
2H-Indazole, 2-(3-methoxyphenyl)-
CID 3067342
7-Methoxy-4-p-tolyl-1,2-dihydro-3,9,9a-triaza-fluorene
CID 25102385
6-(2-Fluoro-6-methoxyphenyl)-1-phenylpyrazolo[4,3-c]pyridine
CID 162657981
1-Methoxy-3-methyl-6,7,8,9-tetrahydropyridazino[1,2-a]indazol-10-ium hydroxide
CID 71763891
3-Methyl-6,7,8,9-tetrahydropyridazino[1,2-a]indazol-10-ium-1-ol
CID 11277543
4-(1-Methoxy-3-methyl-6,7,8,9-tetrahydropyridazino[1,2-a]indazol-10-ium-11-yl)phenol
CID 72201751
6-methoxy-1-[(2R)-2-methyl-3-[(1R,5S)-3-prop-2-ynoxy-8-azabicyclo[3.2.1]octan-8-yl]propyl]indazole
CID 117610787
6-methoxy-1-[(2R)-3-[(1R,5S)-3-(2-methoxyethyl)-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]indazole
CID 118871647

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-methyl-6,7,8,9-tetrahydropyridazino[1,2-a]indazol-10-ium?
The IUPAC name of 1-methoxy-3-methyl-6,7,8,9-tetrahydropyridazino[1,2-a]indazol-10-ium (CID 71763892) is 1-methoxy-3-methyl-6,7,8,9-tetrahydropyridazino[1,2-a]indazol-10-ium.
What is the SMILES notation for 1-methoxy-3-methyl-6,7,8,9-tetrahydropyridazino[1,2-a]indazol-10-ium?
The canonical SMILES for 1-methoxy-3-methyl-6,7,8,9-tetrahydropyridazino[1,2-a]indazol-10-ium is COc1cc(C)cc2c1c[n+]1n2CCCC1.
What is the InChIKey of 1-methoxy-3-methyl-6,7,8,9-tetrahydropyridazino[1,2-a]indazol-10-ium?
The InChIKey is JSHCZILBYOPDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N2O/c1-10-7-12-11(13(8-10)16-2)9-14-5-3-4-6-15(12)14/h7-9H,3-6H2,1-2H3/q+1.
What are the key properties of 1-methoxy-3-methyl-6,7,8,9-tetrahydropyridazino[1,2-a]indazol-10-ium?
1-methoxy-3-methyl-6,7,8,9-tetrahydropyridazino[1,2-a]indazol-10-ium has a molecular weight of 217.29 g/mol, XLogP of 2.04, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-methyl-6,7,8,9-tetrahydropyridazino[1,2-a]indazol-10-ium is sourced from PubChem (CID 71763892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).