3-[2-(methoxymethoxy)phenyl]-5-methyl-6,7,8,9-tetrahydro-5H-indeno[2,1-c]pyridazine

C20H22N2O2 — CID 167634404

IUPAC3-[2-(methoxymethoxy)phenyl]-5-methyl-6,7,8,9-tetrahydro-5H-indeno[2,1-c]pyridazine
SMILESCOCOc1ccccc1-c1cc2c(nn1)CC1=C2C(C)CCC1
InChIInChI=1S/C20H22N2O2/c1-13-6-5-7-14-10-17-16(20(13)14)11-18(22-21-17)15-8-3-4-9-19(15)24-12-23-2/h3-4,8-9,11,13H,5-7,10,12H2,1-2H3
InChIKeyYAOXIQONEUAGJX-UHFFFAOYSA-N
MW322.41 g/mol
LogP4.26
Rot. Bonds4

About 3-[2-(methoxymethoxy)phenyl]-5-methyl-6,7,8,9-tetrahydro-5H-indeno[2,1-c]pyridazine

3-[2-(methoxymethoxy)phenyl]-5-methyl-6,7,8,9-tetrahydro-5H-indeno[2,1-c]pyridazine (PubChem CID 167634404) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 3-[2-(methoxymethoxy)phenyl]-5-methyl-6,7,8,9-tetrahydro-5H-indeno[2,1-c]pyridazine.

Molecular Properties

Compound Name3-[2-(methoxymethoxy)phenyl]-5-methyl-6,7,8,9-tetrahydro-5H-indeno[2,1-c]pyridazine
PubChem CID167634404
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name3-[2-(methoxymethoxy)phenyl]-5-methyl-6,7,8,9-tetrahydro-5H-indeno[2,1-c]pyridazine
SMILESCOCOc1ccccc1-c1cc2c(nn1)CC1=C2C(C)CCC1
InChIInChI=1S/C20H22N2O2/c1-13-6-5-7-14-10-17-16(20(13)14)11-18(22-21-17)15-8-3-4-9-19(15)24-12-23-2/h3-4,8-9,11,13H,5-7,10,12H2,1-2H3
InChIKeyYAOXIQONEUAGJX-UHFFFAOYSA-N
XLogP4.26
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(2,6-dimethylcyclohexen-1-yl)-2-methoxybenzene
CID 167525299
4-(8-benzyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-6-[2-(methoxymethoxy)phenyl]pyridazin-3-amine
CID 176564021
tert-butyl 4-[4-[3-amino-6-[2-(methoxymethoxy)phenyl]pyridazin-4-yl]-3-fluoropyrazol-1-yl]piperidine-1-carboxylate
CID 170625844
4-cyclohexyloxy-1-[6-[2-(methoxymethoxy)phenyl]pyridazin-4-yl]piperidine-4-carboxylic acid
CID 172630238
2-fluoro-4-[2-(methoxymethoxy)phenyl]benzaldehyde
CID 172649767
dimethoxy-[2-(methoxymethoxy)phenyl]borane
CID 123184481
tert-butyl 4-[4-[3-amino-6-[2-(methoxymethoxy)phenyl]pyridazin-4-yl]-5-fluoropyrazol-1-yl]piperidine-1-carboxylate
CID 170624642
1,2-bis(methoxymethoxy)-3-phenylbenzene
CID 11000249
(1S)-7-(methoxymethoxy)-2,3-dihydro-1H-inden-1-ol
CID 130651927
2-[[5-[1-[4-[3-amino-6-[2-(methoxymethoxy)phenyl]pyridazin-4-yl]pyrazol-1-yl]ethyl]-2-pyridinyl]oxy]ethanol
CID 139531077
tert-butyl (4S)-4-[4-[3-amino-6-[2-(methoxymethoxy)phenyl]pyridazin-4-yl]pyrazol-1-yl]-3,3-difluoropiperidine-1-carboxylate
CID 177116141
5-(methoxymethoxy)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65455743

Frequently Asked Questions

What is the IUPAC name of 3-[2-(methoxymethoxy)phenyl]-5-methyl-6,7,8,9-tetrahydro-5H-indeno[2,1-c]pyridazine?
The IUPAC name of 3-[2-(methoxymethoxy)phenyl]-5-methyl-6,7,8,9-tetrahydro-5H-indeno[2,1-c]pyridazine (CID 167634404) is 3-[2-(methoxymethoxy)phenyl]-5-methyl-6,7,8,9-tetrahydro-5H-indeno[2,1-c]pyridazine.
What is the SMILES notation for 3-[2-(methoxymethoxy)phenyl]-5-methyl-6,7,8,9-tetrahydro-5H-indeno[2,1-c]pyridazine?
The canonical SMILES for 3-[2-(methoxymethoxy)phenyl]-5-methyl-6,7,8,9-tetrahydro-5H-indeno[2,1-c]pyridazine is COCOc1ccccc1-c1cc2c(nn1)CC1=C2C(C)CCC1.
What is the InChIKey of 3-[2-(methoxymethoxy)phenyl]-5-methyl-6,7,8,9-tetrahydro-5H-indeno[2,1-c]pyridazine?
The InChIKey is YAOXIQONEUAGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-13-6-5-7-14-10-17-16(20(13)14)11-18(22-21-17)15-8-3-4-9-19(15)24-12-23-2/h3-4,8-9,11,13H,5-7,10,12H2,1-2H3.
What are the key properties of 3-[2-(methoxymethoxy)phenyl]-5-methyl-6,7,8,9-tetrahydro-5H-indeno[2,1-c]pyridazine?
3-[2-(methoxymethoxy)phenyl]-5-methyl-6,7,8,9-tetrahydro-5H-indeno[2,1-c]pyridazine has a molecular weight of 322.41 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(methoxymethoxy)phenyl]-5-methyl-6,7,8,9-tetrahydro-5H-indeno[2,1-c]pyridazine is sourced from PubChem (CID 167634404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).