3-N,6-N-bis(2,5-dimethoxyphenyl)pyridazine-3,6-diamine

C20H22N4O4 — CID 6405258

IUPAC3-N,6-N-bis(2,5-dimethoxyphenyl)pyridazine-3,6-diamine
SMILESCOc1ccc(OC)c(Nc2ccc(Nc3cc(OC)ccc3OC)nn2)c1
InChIInChI=1S/C20H22N4O4/c1-25-13-5-7-17(27-3)15(11-13)21-19-9-10-20(24-23-19)22-16-12-14(26-2)6-8-18(16)28-4/h5-12H,1-4H3,(H,21,23)(H,22,24)
InChIKeyFNIFMQONEBLCKJ-UHFFFAOYSA-N
MW382.42 g/mol
LogP4.00
Rot. Bonds8

About 3-N,6-N-bis(2,5-dimethoxyphenyl)pyridazine-3,6-diamine

3-N,6-N-bis(2,5-dimethoxyphenyl)pyridazine-3,6-diamine (PubChem CID 6405258) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is 3-N,6-N-bis(2,5-dimethoxyphenyl)pyridazine-3,6-diamine.

Molecular Properties

Compound Name3-N,6-N-bis(2,5-dimethoxyphenyl)pyridazine-3,6-diamine
PubChem CID6405258
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC Name3-N,6-N-bis(2,5-dimethoxyphenyl)pyridazine-3,6-diamine
SMILESCOc1ccc(OC)c(Nc2ccc(Nc3cc(OC)ccc3OC)nn2)c1
InChIInChI=1S/C20H22N4O4/c1-25-13-5-7-17(27-3)15(11-13)21-19-9-10-20(24-23-19)22-16-12-14(26-2)6-8-18(16)28-4/h5-12H,1-4H3,(H,21,23)(H,22,24)
InChIKeyFNIFMQONEBLCKJ-UHFFFAOYSA-N
XLogP4.00
TPSA86.76 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N,N'-bis(2-methoxyphenyl)-3,6-pyridazinediamine
CID 2946367
N,N'-bis(3-methoxyphenyl)-3,6-pyridazinediamine
CID 2946925
N,N'-bis(4-methoxyphenyl)-3,6-pyridazinediamine
CID 2945282
N-(2,5-dimethoxyphenyl)-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 49830719
N-(2,5-Dimethoxyphenyl)-6-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)pyridazin-3-amine (5l)
CID 126842793
1-(2,5-Dimethoxyphenyl)-3-(3-(6-(piperidin-1-yl)pyridazin-3-yl)phenyl)urea
CID 43991823
N-(3-methoxyphenyl)-6-phenylpyridazin-3-amine
CID 2729647
N-(6-((2-((2,5-dimethoxyphenyl)amino)-2-oxoethyl)thio)pyridazin-3-yl)propionamide
CID 42139157
4-((6-acetamidopyridazin-3-yl)thio)-N-(2,5-dimethoxyphenyl)butanamide
CID 42173114
6-(2-fluorophenyl)-N-(3-methoxyphenyl)pyridazin-3-amine
CID 6411225
N-(3,5-dimethoxyphenyl)-N'-{4-[(6-methyl-3-pyridazinyl)amino]phenyl}urea
CID 50947259
3-N-(2,5-dimethoxyphenyl)-1-[6-(trifluoromethyl)pyridin-2-yl]-1,2,4-triazole-3,5-diamine
CID 58976673

Frequently Asked Questions

What is the IUPAC name of 3-N,6-N-bis(2,5-dimethoxyphenyl)pyridazine-3,6-diamine?
The IUPAC name of 3-N,6-N-bis(2,5-dimethoxyphenyl)pyridazine-3,6-diamine (CID 6405258) is 3-N,6-N-bis(2,5-dimethoxyphenyl)pyridazine-3,6-diamine.
What is the SMILES notation for 3-N,6-N-bis(2,5-dimethoxyphenyl)pyridazine-3,6-diamine?
The canonical SMILES for 3-N,6-N-bis(2,5-dimethoxyphenyl)pyridazine-3,6-diamine is COc1ccc(OC)c(Nc2ccc(Nc3cc(OC)ccc3OC)nn2)c1.
What is the InChIKey of 3-N,6-N-bis(2,5-dimethoxyphenyl)pyridazine-3,6-diamine?
The InChIKey is FNIFMQONEBLCKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4/c1-25-13-5-7-17(27-3)15(11-13)21-19-9-10-20(24-23-19)22-16-12-14(26-2)6-8-18(16)28-4/h5-12H,1-4H3,(H,21,23)(H,22,24).
What are the key properties of 3-N,6-N-bis(2,5-dimethoxyphenyl)pyridazine-3,6-diamine?
3-N,6-N-bis(2,5-dimethoxyphenyl)pyridazine-3,6-diamine has a molecular weight of 382.42 g/mol, XLogP of 4.00, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,6-N-bis(2,5-dimethoxyphenyl)pyridazine-3,6-diamine is sourced from PubChem (CID 6405258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).