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

C13H18N2O2 — CID 71763891

IUPAC1-methoxy-3-methyl-6,7,8,9-tetrahydropyridazino[1,2-a]indazol-10-ium hydroxide
SMILESCOc1cc(C)cc2c1c[n+]1n2CCCC1.[OH-]
InChIInChI=1S/C13H17N2O.H2O/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;1H2/q+1;/p-1
InChIKeyAGBDNGZEBWCSMO-UHFFFAOYSA-M
MW234.30 g/mol
LogP1.86
Rot. Bonds1

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

1-methoxy-3-methyl-6,7,8,9-tetrahydropyridazino[1,2-a]indazol-10-ium hydroxide (PubChem CID 71763891) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-methoxy-3-methyl-6,7,8,9-tetrahydropyridazino[1,2-a]indazol-10-ium hydroxide.

Molecular Properties

Compound Name1-methoxy-3-methyl-6,7,8,9-tetrahydropyridazino[1,2-a]indazol-10-ium hydroxide
PubChem CID71763891
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name1-methoxy-3-methyl-6,7,8,9-tetrahydropyridazino[1,2-a]indazol-10-ium hydroxide
SMILESCOc1cc(C)cc2c1c[n+]1n2CCCC1.[OH-]
InChIInChI=1S/C13H17N2O.H2O/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;1H2/q+1;/p-1
InChIKeyAGBDNGZEBWCSMO-UHFFFAOYSA-M
XLogP1.86
TPSA48.04 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-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
3-Methyl-6,7,8,9-tetrahydropyridazino[1,2-a]indazol-10-ium-1-ol
CID 11277543
1-Methoxy-3-methyl-6,7,8,9-tetrahydropyridazino[1,2-a]indazol-10-ium
CID 71763892
4-(1-Methoxy-3-methyl-6,7,8,9-tetrahydropyridazino[1,2-a]indazol-10-ium-11-yl)phenol
CID 72201751
1-Hydroxy-11-(4-hydroxyphenyl)-3-methyl-6,7,8,9-tetrahydropyridazino[1,2-a]indazol-10-ium
CID 118717506
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
1-[(2R)-3-[(1R,5S)-3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]-6-methoxyindazole
CID 118881766
6-methoxy-2-methyl-2H-indazol-5-amine
CID 117110287

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-methyl-6,7,8,9-tetrahydropyridazino[1,2-a]indazol-10-ium hydroxide?
The IUPAC name of 1-methoxy-3-methyl-6,7,8,9-tetrahydropyridazino[1,2-a]indazol-10-ium hydroxide (CID 71763891) is 1-methoxy-3-methyl-6,7,8,9-tetrahydropyridazino[1,2-a]indazol-10-ium hydroxide.
What is the SMILES notation for 1-methoxy-3-methyl-6,7,8,9-tetrahydropyridazino[1,2-a]indazol-10-ium hydroxide?
The canonical SMILES for 1-methoxy-3-methyl-6,7,8,9-tetrahydropyridazino[1,2-a]indazol-10-ium hydroxide is COc1cc(C)cc2c1c[n+]1n2CCCC1.[OH-].
What is the InChIKey of 1-methoxy-3-methyl-6,7,8,9-tetrahydropyridazino[1,2-a]indazol-10-ium hydroxide?
The InChIKey is AGBDNGZEBWCSMO-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H17N2O.H2O/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;1H2/q+1;/p-1.
What are the key properties of 1-methoxy-3-methyl-6,7,8,9-tetrahydropyridazino[1,2-a]indazol-10-ium hydroxide?
1-methoxy-3-methyl-6,7,8,9-tetrahydropyridazino[1,2-a]indazol-10-ium hydroxide has a molecular weight of 234.30 g/mol, XLogP of 1.86, 1 rotatable bonds, 0 hydrogen bond donors, and 3 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 hydroxide is sourced from PubChem (CID 71763891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).