3-N,6-N-bis(4-methoxyphenyl)pyridazine-3,6-diamine

C18H18N4O2 — CID 2945282

IUPAC3-N,6-N-bis(4-methoxyphenyl)pyridazine-3,6-diamine
SMILESCOc1ccc(Nc2ccc(Nc3ccc(OC)cc3)nn2)cc1
InChIInChI=1S/C18H18N4O2/c1-23-15-7-3-13(4-8-15)19-17-11-12-18(22-21-17)20-14-5-9-16(24-2)10-6-14/h3-12H,1-2H3,(H,19,21)(H,20,22)
InChIKeyQVGLNIYOAQWKCU-UHFFFAOYSA-N
MW322.37 g/mol
LogP3.98
Rot. Bonds6

About 3-N,6-N-bis(4-methoxyphenyl)pyridazine-3,6-diamine

3-N,6-N-bis(4-methoxyphenyl)pyridazine-3,6-diamine (PubChem CID 2945282) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 3-N,6-N-bis(4-methoxyphenyl)pyridazine-3,6-diamine.

Molecular Properties

Compound Name3-N,6-N-bis(4-methoxyphenyl)pyridazine-3,6-diamine
PubChem CID2945282
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name3-N,6-N-bis(4-methoxyphenyl)pyridazine-3,6-diamine
SMILESCOc1ccc(Nc2ccc(Nc3ccc(OC)cc3)nn2)cc1
InChIInChI=1S/C18H18N4O2/c1-23-15-7-3-13(4-8-15)19-17-11-12-18(22-21-17)20-14-5-9-16(24-2)10-6-14/h3-12H,1-2H3,(H,19,21)(H,20,22)
InChIKeyQVGLNIYOAQWKCU-UHFFFAOYSA-N
XLogP3.98
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Fpl 62064
CID 128268
N-(4-methoxyphenyl)-4-methylphthalazin-1-amine
CID 3124064
6-chloro-N-(4-methoxyphenyl)pyridazin-3-amine
CID 6401738
6-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-N-(4-methoxyphenyl)pyridazin-3-amine
CID 145952169
N,N'-bis(2-methoxyphenyl)-3,6-pyridazinediamine
CID 2946367
N,N'-bis(3-methoxyphenyl)-3,6-pyridazinediamine
CID 2946925
N3,N6-bis(2,5-dimethoxyphenyl)pyridazine-3,6-diamine
CID 6405258
N-(4-methoxyphenyl)-4-phenylphthalazin-1-amine
CID 2869439
N-(4-methoxyphenyl)-6-phenylpyridazin-3-amine
CID 71528646
N-(4-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]phthalazin-1-amine
CID 127033204
6-(4-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]pyridazin-3-amine
CID 6623882
N-(4-methoxyphenyl)-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-amine
CID 25023032

Frequently Asked Questions

What is the IUPAC name of 3-N,6-N-bis(4-methoxyphenyl)pyridazine-3,6-diamine?
The IUPAC name of 3-N,6-N-bis(4-methoxyphenyl)pyridazine-3,6-diamine (CID 2945282) is 3-N,6-N-bis(4-methoxyphenyl)pyridazine-3,6-diamine.
What is the SMILES notation for 3-N,6-N-bis(4-methoxyphenyl)pyridazine-3,6-diamine?
The canonical SMILES for 3-N,6-N-bis(4-methoxyphenyl)pyridazine-3,6-diamine is COc1ccc(Nc2ccc(Nc3ccc(OC)cc3)nn2)cc1.
What is the InChIKey of 3-N,6-N-bis(4-methoxyphenyl)pyridazine-3,6-diamine?
The InChIKey is QVGLNIYOAQWKCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-23-15-7-3-13(4-8-15)19-17-11-12-18(22-21-17)20-14-5-9-16(24-2)10-6-14/h3-12H,1-2H3,(H,19,21)(H,20,22).
What are the key properties of 3-N,6-N-bis(4-methoxyphenyl)pyridazine-3,6-diamine?
3-N,6-N-bis(4-methoxyphenyl)pyridazine-3,6-diamine has a molecular weight of 322.37 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,6-N-bis(4-methoxyphenyl)pyridazine-3,6-diamine is sourced from PubChem (CID 2945282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).