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

C12H15N2O+ — CID 11277543

IUPAC3-methyl-6,7,8,9-tetrahydropyridazino[1,2-a]indazol-10-ium-1-ol
SMILESCc1cc(O)c2c[n+]3n(c2c1)CCCC3
InChIInChI=1S/C12H14N2O/c1-9-6-11-10(12(15)7-9)8-13-4-2-3-5-14(11)13/h6-8H,2-5H2,1H3/p+1
InChIKeyFAGBILYNJCYFKA-UHFFFAOYSA-O
MW203.27 g/mol
LogP1.74
Rot. Bonds

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

3-methyl-6,7,8,9-tetrahydropyridazino[1,2-a]indazol-10-ium-1-ol (PubChem CID 11277543) has the molecular formula C12H15N2O+ and a molecular weight of 203.27 g/mol. Its IUPAC name is 3-methyl-6,7,8,9-tetrahydropyridazino[1,2-a]indazol-10-ium-1-ol.

Molecular Properties

Compound Name3-methyl-6,7,8,9-tetrahydropyridazino[1,2-a]indazol-10-ium-1-ol
PubChem CID11277543
Molecular FormulaC12H15N2O+
Molecular Weight203.27 g/mol
Exact Mass203.12
IUPAC Name3-methyl-6,7,8,9-tetrahydropyridazino[1,2-a]indazol-10-ium-1-ol
SMILESCc1cc(O)c2c[n+]3n(c2c1)CCCC3
InChIInChI=1S/C12H14N2O/c1-9-6-11-10(12(15)7-9)8-13-4-2-3-5-14(11)13/h6-8H,2-5H2,1H3/p+1
InChIKeyFAGBILYNJCYFKA-UHFFFAOYSA-O
XLogP1.74
TPSA29.04 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-methyl-6,7,8,9-tetrahydropyridazino[1,2-a]indazol-10-ium-1-ol with MolForge

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Related Compounds

AL-34662
CID 135453290
1-((S)-2-aminopropyl)-7-methyl-1H-indazol-6-ol
CID 135414348
1-(2-aminoethyl)-1H-indazol-6-ol
CID 135520431
1-((R)-2-aminopropyl)-1H-indazol-6-ol
CID 135399666
2-Phenyl-2H-indazol-5-ol
CID 11390181
1-(2-aminopropyl)-1H-indazol-6-ol
CID 135409353
1-Methoxy-3-methyl-6,7,8,9-tetrahydropyridazino[1,2-a]indazol-10-ium hydroxide
CID 71763891
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
2-(4-Hydroxyphenyl)indazol-5-ol
CID 11470163
2-methyl-2H-indazol-5-ol
CID 44119248

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6,7,8,9-tetrahydropyridazino[1,2-a]indazol-10-ium-1-ol?
The IUPAC name of 3-methyl-6,7,8,9-tetrahydropyridazino[1,2-a]indazol-10-ium-1-ol (CID 11277543) is 3-methyl-6,7,8,9-tetrahydropyridazino[1,2-a]indazol-10-ium-1-ol.
What is the SMILES notation for 3-methyl-6,7,8,9-tetrahydropyridazino[1,2-a]indazol-10-ium-1-ol?
The canonical SMILES for 3-methyl-6,7,8,9-tetrahydropyridazino[1,2-a]indazol-10-ium-1-ol is Cc1cc(O)c2c[n+]3n(c2c1)CCCC3.
What is the InChIKey of 3-methyl-6,7,8,9-tetrahydropyridazino[1,2-a]indazol-10-ium-1-ol?
The InChIKey is FAGBILYNJCYFKA-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H14N2O/c1-9-6-11-10(12(15)7-9)8-13-4-2-3-5-14(11)13/h6-8H,2-5H2,1H3/p+1.
What are the key properties of 3-methyl-6,7,8,9-tetrahydropyridazino[1,2-a]indazol-10-ium-1-ol?
3-methyl-6,7,8,9-tetrahydropyridazino[1,2-a]indazol-10-ium-1-ol has a molecular weight of 203.27 g/mol, XLogP of 1.74, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6,7,8,9-tetrahydropyridazino[1,2-a]indazol-10-ium-1-ol is sourced from PubChem (CID 11277543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).