1-methyl-6-(5-methylnaphtho[2,1-b][1]benzofuran-6-yl)-1H-pyridazin-1-ium-2-ide

C22H18N2O — CID 163450717

IUPAC1-methyl-6-(5-methylnaphtho[2,1-b][1]benzofuran-6-yl)-1H-pyridazin-1-ium-2-ide
SMILESCc1c(C2=CC=C[N-][NH+]2C)c2oc3ccccc3c2c2ccccc12
InChIInChI=1S/C22H18N2O/c1-14-15-8-3-4-9-16(15)21-17-10-5-6-12-19(17)25-22(21)20(14)18-11-7-13-23-24(18)2/h3-13,24H,1-2H3
InChIKeyBGJHEGVHRTZUKV-UHFFFAOYSA-N
MW326.40 g/mol
LogP4.72
Rot. Bonds1

About 1-methyl-6-(5-methylnaphtho[2,1-b][1]benzofuran-6-yl)-1H-pyridazin-1-ium-2-ide

1-methyl-6-(5-methylnaphtho[2,1-b][1]benzofuran-6-yl)-1H-pyridazin-1-ium-2-ide (PubChem CID 163450717) has the molecular formula C22H18N2O and a molecular weight of 326.40 g/mol. Its IUPAC name is 1-methyl-6-(5-methylnaphtho[2,1-b][1]benzofuran-6-yl)-1H-pyridazin-1-ium-2-ide.

Molecular Properties

Compound Name1-methyl-6-(5-methylnaphtho[2,1-b][1]benzofuran-6-yl)-1H-pyridazin-1-ium-2-ide
PubChem CID163450717
Molecular FormulaC22H18N2O
Molecular Weight326.40 g/mol
Exact Mass326.14
IUPAC Name1-methyl-6-(5-methylnaphtho[2,1-b][1]benzofuran-6-yl)-1H-pyridazin-1-ium-2-ide
SMILESCc1c(C2=CC=C[N-][NH+]2C)c2oc3ccccc3c2c2ccccc12
InChIInChI=1S/C22H18N2O/c1-14-15-8-3-4-9-16(15)21-17-10-5-6-12-19(17)25-22(21)20(14)18-11-7-13-23-24(18)2/h3-13,24H,1-2H3
InChIKeyBGJHEGVHRTZUKV-UHFFFAOYSA-N
XLogP4.72
TPSA31.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-methyl-6-(5-methylnaphtho[2,1-b][1]benzofuran-6-yl)-1H-pyridazin-1-ium-2-ide with MolForge

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Related Compounds

5-methyl-N-phenylnaphtho[2,1-b][1]benzofuran-6-amine
CID 126550540
1-methyl-2-(5-methylnaphtho[2,1-b][1]benzofuran-6-yl)-5-(trideuteriomethyl)pyridin-1-ium
CID 140827754
1,4-dimethyl-2-(5-methylnaphtho[2,1-b][1]benzofuran-6-yl)quinolin-1-ium
CID 146947606
11,23-dimethyl-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3,5,7,11,14(22),15,17,19,23-undecaene
CID 144608278
11-methyl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,15,17,19-decaene
CID 144743872
1-methyl-2-(5-methylnaphtho[2,1-b][1]benzofuran-6-yl)-5-(trideuteriomethyl)pyrimidin-1-ium
CID 140828090
5-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-1-methyl-2-(5-methylnaphtho[2,1-b][1]benzofuran-6-yl)pyridin-1-ium
CID 169032885
1,3-dimethoxy-4-methyldibenzofuran
CID 86106843
19-methyl-16-oxahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17(22),18,20,24-dodecaene
CID 123734566
3,4-dimethyl-1-(trideuteriomethyl)dibenzofuran
CID 167687599
1,2,3-trimethyl-[1]benzofuro[2,3-c]pyrrole
CID 158099360
11-methyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaene
CID 123841957

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-(5-methylnaphtho[2,1-b][1]benzofuran-6-yl)-1H-pyridazin-1-ium-2-ide?
The IUPAC name of 1-methyl-6-(5-methylnaphtho[2,1-b][1]benzofuran-6-yl)-1H-pyridazin-1-ium-2-ide (CID 163450717) is 1-methyl-6-(5-methylnaphtho[2,1-b][1]benzofuran-6-yl)-1H-pyridazin-1-ium-2-ide.
What is the SMILES notation for 1-methyl-6-(5-methylnaphtho[2,1-b][1]benzofuran-6-yl)-1H-pyridazin-1-ium-2-ide?
The canonical SMILES for 1-methyl-6-(5-methylnaphtho[2,1-b][1]benzofuran-6-yl)-1H-pyridazin-1-ium-2-ide is Cc1c(C2=CC=C[N-][NH+]2C)c2oc3ccccc3c2c2ccccc12.
What is the InChIKey of 1-methyl-6-(5-methylnaphtho[2,1-b][1]benzofuran-6-yl)-1H-pyridazin-1-ium-2-ide?
The InChIKey is BGJHEGVHRTZUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O/c1-14-15-8-3-4-9-16(15)21-17-10-5-6-12-19(17)25-22(21)20(14)18-11-7-13-23-24(18)2/h3-13,24H,1-2H3.
What are the key properties of 1-methyl-6-(5-methylnaphtho[2,1-b][1]benzofuran-6-yl)-1H-pyridazin-1-ium-2-ide?
1-methyl-6-(5-methylnaphtho[2,1-b][1]benzofuran-6-yl)-1H-pyridazin-1-ium-2-ide has a molecular weight of 326.40 g/mol, XLogP of 4.72, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-(5-methylnaphtho[2,1-b][1]benzofuran-6-yl)-1H-pyridazin-1-ium-2-ide is sourced from PubChem (CID 163450717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).