azane;4-[3-[6-(3-ethoxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]-3-oxopropyl]phenolate;rubidium(1+)

C22H28N3O4Rb — CID 142838514

IUPACazane;4-[3-[6-(3-ethoxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]-3-oxopropyl]phenolate;rubidium(1+)
SMILESCCOc1cc(C2=NN(C(=O)CCc3ccc([O-])cc3)CCC2)ccc1OC.N.[Rb+]
InChIInChI=1S/C22H26N2O4.H3N.Rb/c1-3-28-21-15-17(9-12-20(21)27-2)19-5-4-14-24(23-19)22(26)13-8-16-6-10-18(25)11-7-16;;/h6-7,9-12,15,25H,3-5,8,13-14H2,1-2H3;1H3;/q;;+1/p-1
InChIKeyONJSABQGMTVYCF-UHFFFAOYSA-M
MW483.95 g/mol
LogP0.29
Rot. Bonds7

About azane;4-[3-[6-(3-ethoxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]-3-oxopropyl]phenolate;rubidium(1+)

azane;4-[3-[6-(3-ethoxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]-3-oxopropyl]phenolate;rubidium(1+) (PubChem CID 142838514) has the molecular formula C22H28N3O4Rb and a molecular weight of 483.95 g/mol. Its IUPAC name is azane;4-[3-[6-(3-ethoxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]-3-oxopropyl]phenolate;rubidium(1+).

Molecular Properties

Compound Nameazane;4-[3-[6-(3-ethoxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]-3-oxopropyl]phenolate;rubidium(1+)
PubChem CID142838514
Molecular FormulaC22H28N3O4Rb
Molecular Weight483.95 g/mol
Exact Mass483.12
IUPAC Nameazane;4-[3-[6-(3-ethoxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]-3-oxopropyl]phenolate;rubidium(1+)
SMILESCCOc1cc(C2=NN(C(=O)CCc3ccc([O-])cc3)CCC2)ccc1OC.N.[Rb+]
InChIInChI=1S/C22H26N2O4.H3N.Rb/c1-3-28-21-15-17(9-12-20(21)27-2)19-5-4-14-24(23-19)22(26)13-8-16-6-10-18(25)11-7-16;;/h6-7,9-12,15,25H,3-5,8,13-14H2,1-2H3;1H3;/q;;+1/p-1
InChIKeyONJSABQGMTVYCF-UHFFFAOYSA-M
XLogP0.29
TPSA109.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.95
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4-aminophenyl)-[6-(3-ethoxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]methanone
CID 11394068
[6-(3-ethoxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methanone
CID 10163971
N-[4-[6-(3-ethoxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]-4-[(4-nitrobenzoyl)amino]benzamide
CID 23433311
[(2S)-1-[6-(3-ethoxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-oxopropan-2-yl]carbamic acid
CID 68796243
tert-butyl N-[(2S)-1-[6-(3-ethoxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]carbamate
CID 10075101
1-[2-[4-[6-(3-ethoxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenoxy]ethyl]piperazin-2-one
CID 59021452
N-[4-[6-(3-ethoxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]-3-[(3-nitrobenzoyl)amino]benzamide
CID 23433358
N-[4-[6-(3-ethoxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]-3-[(4-methylbenzoyl)amino]benzamide
CID 23433313
N-[4-[[3-[6-(3-ethoxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]carbamoyl]phenyl]-3-methylbenzamide
CID 23433342
2-[[3-chloro-4-[6-(3-ethoxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]diazenyl]propanedinitrile
CID 91568291
2-[2-[4-[6-(3-ethoxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]-3-fluorophenoxy]ethoxy]acetic acid
CID 59021406
2-(3,4-dimethoxyphenyl)-1-[5-[4-(dimethylamino)phenyl]-3,4-dihydropyrazol-2-yl]ethanone
CID 59355858

Frequently Asked Questions

What is the IUPAC name of azane;4-[3-[6-(3-ethoxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]-3-oxopropyl]phenolate;rubidium(1+)?
The IUPAC name of azane;4-[3-[6-(3-ethoxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]-3-oxopropyl]phenolate;rubidium(1+) (CID 142838514) is azane;4-[3-[6-(3-ethoxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]-3-oxopropyl]phenolate;rubidium(1+).
What is the SMILES notation for azane;4-[3-[6-(3-ethoxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]-3-oxopropyl]phenolate;rubidium(1+)?
The canonical SMILES for azane;4-[3-[6-(3-ethoxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]-3-oxopropyl]phenolate;rubidium(1+) is CCOc1cc(C2=NN(C(=O)CCc3ccc([O-])cc3)CCC2)ccc1OC.N.[Rb+].
What is the InChIKey of azane;4-[3-[6-(3-ethoxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]-3-oxopropyl]phenolate;rubidium(1+)?
The InChIKey is ONJSABQGMTVYCF-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H26N2O4.H3N.Rb/c1-3-28-21-15-17(9-12-20(21)27-2)19-5-4-14-24(23-19)22(26)13-8-16-6-10-18(25)11-7-16;;/h6-7,9-12,15,25H,3-5,8,13-14H2,1-2H3;1H3;/q;;+1/p-1.
What are the key properties of azane;4-[3-[6-(3-ethoxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]-3-oxopropyl]phenolate;rubidium(1+)?
azane;4-[3-[6-(3-ethoxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]-3-oxopropyl]phenolate;rubidium(1+) has a molecular weight of 483.95 g/mol, XLogP of 0.29, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for azane;4-[3-[6-(3-ethoxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]-3-oxopropyl]phenolate;rubidium(1+) is sourced from PubChem (CID 142838514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).