11-(4-hydroxyphenyl)-3-methyl-6,7,8,9-tetrahydropyridazino[1,2-a]indazol-10-ium-1-ol

C18H19N2O2+ — CID 118717506

IUPAC11-(4-hydroxyphenyl)-3-methyl-6,7,8,9-tetrahydropyridazino[1,2-a]indazol-10-ium-1-ol
SMILESCc1cc(O)c2c(-c3ccc(O)cc3)[n+]3n(c2c1)CCCC3
InChIInChI=1S/C18H18N2O2/c1-12-10-15-17(16(22)11-12)18(13-4-6-14(21)7-5-13)20-9-3-2-8-19(15)20/h4-7,10-11H,2-3,8-9H2,1H3,(H,21,22)/p+1
InChIKeyBYNDPWUDABJNCH-UHFFFAOYSA-O
MW295.36 g/mol
LogP3.11
Rot. Bonds1

About 11-(4-hydroxyphenyl)-3-methyl-6,7,8,9-tetrahydropyridazino[1,2-a]indazol-10-ium-1-ol

11-(4-hydroxyphenyl)-3-methyl-6,7,8,9-tetrahydropyridazino[1,2-a]indazol-10-ium-1-ol (PubChem CID 118717506) has the molecular formula C18H19N2O2+ and a molecular weight of 295.36 g/mol. Its IUPAC name is 11-(4-hydroxyphenyl)-3-methyl-6,7,8,9-tetrahydropyridazino[1,2-a]indazol-10-ium-1-ol.

Molecular Properties

Compound Name11-(4-hydroxyphenyl)-3-methyl-6,7,8,9-tetrahydropyridazino[1,2-a]indazol-10-ium-1-ol
PubChem CID118717506
Molecular FormulaC18H19N2O2+
Molecular Weight295.36 g/mol
Exact Mass295.14
IUPAC Name11-(4-hydroxyphenyl)-3-methyl-6,7,8,9-tetrahydropyridazino[1,2-a]indazol-10-ium-1-ol
SMILESCc1cc(O)c2c(-c3ccc(O)cc3)[n+]3n(c2c1)CCCC3
InChIInChI=1S/C18H18N2O2/c1-12-10-15-17(16(22)11-12)18(13-4-6-14(21)7-5-13)20-9-3-2-8-19(15)20/h4-7,10-11H,2-3,8-9H2,1H3,(H,21,22)/p+1
InChIKeyBYNDPWUDABJNCH-UHFFFAOYSA-O
XLogP3.11
TPSA49.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Phenol, 4-(7-methyl-1-propyl-1H-indazol-3-yl)-
CID 135511848
4-(1-ethyl-6-hydroxy-1H-indazol-3-yl)benzene-1,3-diol
CID 135438183
4-(1-cyclohexyl-6-hydroxy-1H-indazol-3-yl)benzene-1,3-diol
CID 135499972
4-[1-isopropyl-7-(trifluoromethyl)-1H-indazol-3-yl]-3-methylphenol
CID 135507439
4-(6-hydroxy-1-propyl-1H-indazol-3-yl)benzene-1,3-diol
CID 135511863
4-(6-Hydroxy-1-(2,2,2-trifluoroethyl)-1H-indazol-3-yl)benzene-1,3-diol
CID 135511929
4-(6-Hydroxy-1-(p-tolyl)-1H-indazol-3-yl)benzene-1,3-diol
CID 135511945
4-(1-butyl-6-hydroxy-1H-indazol-3-yl)benzene-1,3-diol
CID 135524510
4-[1-allyl-7-(trifluoromethyl)-1H-indazol-3-yl]-3-methylphenol
CID 135524884
Methyl 2-[3-(2-hydroxyphenyl)indazol-1-yl]acetate
CID 136236953
4-(1-methyl-6-hydroxy-1H-indazol-3-yl)benzene-1,3-diol
CID 135454762
7-Methoxy-4-p-tolyl-1,2-dihydro-3,9,9a-triaza-fluorene
CID 25102385

Frequently Asked Questions

What is the IUPAC name of 11-(4-hydroxyphenyl)-3-methyl-6,7,8,9-tetrahydropyridazino[1,2-a]indazol-10-ium-1-ol?
The IUPAC name of 11-(4-hydroxyphenyl)-3-methyl-6,7,8,9-tetrahydropyridazino[1,2-a]indazol-10-ium-1-ol (CID 118717506) is 11-(4-hydroxyphenyl)-3-methyl-6,7,8,9-tetrahydropyridazino[1,2-a]indazol-10-ium-1-ol.
What is the SMILES notation for 11-(4-hydroxyphenyl)-3-methyl-6,7,8,9-tetrahydropyridazino[1,2-a]indazol-10-ium-1-ol?
The canonical SMILES for 11-(4-hydroxyphenyl)-3-methyl-6,7,8,9-tetrahydropyridazino[1,2-a]indazol-10-ium-1-ol is Cc1cc(O)c2c(-c3ccc(O)cc3)[n+]3n(c2c1)CCCC3.
What is the InChIKey of 11-(4-hydroxyphenyl)-3-methyl-6,7,8,9-tetrahydropyridazino[1,2-a]indazol-10-ium-1-ol?
The InChIKey is BYNDPWUDABJNCH-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H18N2O2/c1-12-10-15-17(16(22)11-12)18(13-4-6-14(21)7-5-13)20-9-3-2-8-19(15)20/h4-7,10-11H,2-3,8-9H2,1H3,(H,21,22)/p+1.
What are the key properties of 11-(4-hydroxyphenyl)-3-methyl-6,7,8,9-tetrahydropyridazino[1,2-a]indazol-10-ium-1-ol?
11-(4-hydroxyphenyl)-3-methyl-6,7,8,9-tetrahydropyridazino[1,2-a]indazol-10-ium-1-ol has a molecular weight of 295.36 g/mol, XLogP of 3.11, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(4-hydroxyphenyl)-3-methyl-6,7,8,9-tetrahydropyridazino[1,2-a]indazol-10-ium-1-ol is sourced from PubChem (CID 118717506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).