N-(2,4-dimethoxyphenyl)-6-(2-fluorophenyl)pyridazin-3-amine

C18H16FN3O2 — CID 653238

IUPACN-(2,4-dimethoxyphenyl)-6-(2-fluorophenyl)pyridazin-3-amine
SMILESCOc1ccc(Nc2ccc(-c3ccccc3F)nn2)c(OC)c1
InChIInChI=1S/C18H16FN3O2/c1-23-12-7-8-16(17(11-12)24-2)20-18-10-9-15(21-22-18)13-5-3-4-6-14(13)19/h3-11H,1-2H3,(H,20,22)
InChIKeyNGEJVYPDPMFJJA-UHFFFAOYSA-N
MW325.34 g/mol
LogP4.04
Rot. Bonds5

About N-(2,4-dimethoxyphenyl)-6-(2-fluorophenyl)pyridazin-3-amine

N-(2,4-dimethoxyphenyl)-6-(2-fluorophenyl)pyridazin-3-amine (PubChem CID 653238) has the molecular formula C18H16FN3O2 and a molecular weight of 325.34 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-6-(2-fluorophenyl)pyridazin-3-amine.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-6-(2-fluorophenyl)pyridazin-3-amine
PubChem CID653238
Molecular FormulaC18H16FN3O2
Molecular Weight325.34 g/mol
Exact Mass325.12
IUPAC NameN-(2,4-dimethoxyphenyl)-6-(2-fluorophenyl)pyridazin-3-amine
SMILESCOc1ccc(Nc2ccc(-c3ccccc3F)nn2)c(OC)c1
InChIInChI=1S/C18H16FN3O2/c1-23-12-7-8-16(17(11-12)24-2)20-18-10-9-15(21-22-18)13-5-3-4-6-14(13)19/h3-11H,1-2H3,(H,20,22)
InChIKeyNGEJVYPDPMFJJA-UHFFFAOYSA-N
XLogP4.04
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxyphenyl)-4-methylphthalazin-1-amine
CID 3124064
(6-o-Tolyl-pyridazin-3-yl)-(3,4,5-trimethoxy-phenyl)-amine
CID 654211
(3,4-Dimethoxy-phenyl)-[6-(2-fluoro-phenyl)-pyridazin-3-yl]-amine
CID 6411226
[6-(2-Fluoro-phenyl)-pyridazin-3-yl]-(3,4,5-trimethoxy-phenyl)-amine
CID 9549456
N,N'-bis(2-methoxyphenyl)-3,6-pyridazinediamine
CID 2946367
N-(4-methoxyphenyl)-6-phenylpyridazin-3-amine
CID 71528646
3-(3-Fluoro-4-methoxyphenyl)-1-{3-[6-(morpholin-4-YL)pyridazin-3-YL]phenyl}urea
CID 53154140
N-(2,4-dimethoxyphenyl)-4-(3,5-dimethyl-1H-pyrazol-1-yl)phthalazin-1-amine
CID 20959229
6-(2-fluorophenyl)-N-(3,4,5-trimethoxyphenyl)-3-pyridazinamine;hydrochloride
CID 6411228
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
6-methyl-N-[4-(trifluoromethoxy)phenyl]-4-[3-(trifluoromethyl)phenyl]pyridazin-3-amine
CID 25023037

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-6-(2-fluorophenyl)pyridazin-3-amine?
The IUPAC name of N-(2,4-dimethoxyphenyl)-6-(2-fluorophenyl)pyridazin-3-amine (CID 653238) is N-(2,4-dimethoxyphenyl)-6-(2-fluorophenyl)pyridazin-3-amine.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-6-(2-fluorophenyl)pyridazin-3-amine?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-6-(2-fluorophenyl)pyridazin-3-amine is COc1ccc(Nc2ccc(-c3ccccc3F)nn2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-6-(2-fluorophenyl)pyridazin-3-amine?
The InChIKey is NGEJVYPDPMFJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2/c1-23-12-7-8-16(17(11-12)24-2)20-18-10-9-15(21-22-18)13-5-3-4-6-14(13)19/h3-11H,1-2H3,(H,20,22).
What are the key properties of N-(2,4-dimethoxyphenyl)-6-(2-fluorophenyl)pyridazin-3-amine?
N-(2,4-dimethoxyphenyl)-6-(2-fluorophenyl)pyridazin-3-amine has a molecular weight of 325.34 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-6-(2-fluorophenyl)pyridazin-3-amine is sourced from PubChem (CID 653238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).