N-(2,4-difluorophenyl)-5,6-bis(4-methoxyphenyl)pyridazin-3-amine

C24H19F2N3O2 — CID 18760015

IUPACN-(2,4-difluorophenyl)-5,6-bis(4-methoxyphenyl)pyridazin-3-amine
SMILESCOc1ccc(-c2cc(Nc3ccc(F)cc3F)nnc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H19F2N3O2/c1-30-18-8-3-15(4-9-18)20-14-23(27-22-12-7-17(25)13-21(22)26)28-29-24(20)16-5-10-19(31-2)11-6-16/h3-14H,1-2H3,(H,27,28)
InChIKeyKLWZPMGYCLNZET-UHFFFAOYSA-N
MW419.43 g/mol
LogP5.85
Rot. Bonds6

About N-(2,4-difluorophenyl)-5,6-bis(4-methoxyphenyl)pyridazin-3-amine

N-(2,4-difluorophenyl)-5,6-bis(4-methoxyphenyl)pyridazin-3-amine (PubChem CID 18760015) has the molecular formula C24H19F2N3O2 and a molecular weight of 419.43 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-5,6-bis(4-methoxyphenyl)pyridazin-3-amine.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-5,6-bis(4-methoxyphenyl)pyridazin-3-amine
PubChem CID18760015
Molecular FormulaC24H19F2N3O2
Molecular Weight419.43 g/mol
Exact Mass419.14
IUPAC NameN-(2,4-difluorophenyl)-5,6-bis(4-methoxyphenyl)pyridazin-3-amine
SMILESCOc1ccc(-c2cc(Nc3ccc(F)cc3F)nnc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H19F2N3O2/c1-30-18-8-3-15(4-9-18)20-14-23(27-22-12-7-17(25)13-21(22)26)28-29-24(20)16-5-10-19(31-2)11-6-16/h3-14H,1-2H3,(H,27,28)
InChIKeyKLWZPMGYCLNZET-UHFFFAOYSA-N
XLogP5.85
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.43
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxyphenyl)-4-methylphthalazin-1-amine
CID 3124064
4-(4-ethoxyphenyl)-N-(4-methylphenyl)phthalazin-1-amine
CID 6407032
4-(4-((4-Methoxyphenyl)amino)phthalazin-1-yl)phenol
CID 1394168
4-(4-methoxyphenyl)-N-phenylphthalazin-1-amine
CID 5494639
Cyclohexyl-[6-(2-methoxy-phenyl)-pyridazin-3-yl]-amine
CID 654107
(2-Cyclohex-1-enyl-ethyl)-[6-(3,4-dimethoxy-phenyl)-pyridazin-3-yl]-amine
CID 655276
4-(4-methoxyphenyl)-N-(4-methylphenyl)-1-phthalazinamine
CID 5494638
N-(3-methylphenyl)-4-[4-(prop-2-yn-1-yloxy)phenyl]phthalazin-1-amine
CID 6407333
[6-(2-Methoxy-phenyl)-pyridazin-3-yl]-(3-trifluoromethyl-phenyl)-amine
CID 6411208
(3,4-Dimethoxy-phenyl)-[6-(2-fluoro-phenyl)-pyridazin-3-yl]-amine
CID 6411226
4-(4-methoxyphenyl)-N-(3-methylphenyl)phthalazin-1-amine
CID 17129186
4-(2-methoxyphenyl)-N-(4-methylphenyl)phthalazin-1-amine
CID 71541387

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-5,6-bis(4-methoxyphenyl)pyridazin-3-amine?
The IUPAC name of N-(2,4-difluorophenyl)-5,6-bis(4-methoxyphenyl)pyridazin-3-amine (CID 18760015) is N-(2,4-difluorophenyl)-5,6-bis(4-methoxyphenyl)pyridazin-3-amine.
What is the SMILES notation for N-(2,4-difluorophenyl)-5,6-bis(4-methoxyphenyl)pyridazin-3-amine?
The canonical SMILES for N-(2,4-difluorophenyl)-5,6-bis(4-methoxyphenyl)pyridazin-3-amine is COc1ccc(-c2cc(Nc3ccc(F)cc3F)nnc2-c2ccc(OC)cc2)cc1.
What is the InChIKey of N-(2,4-difluorophenyl)-5,6-bis(4-methoxyphenyl)pyridazin-3-amine?
The InChIKey is KLWZPMGYCLNZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F2N3O2/c1-30-18-8-3-15(4-9-18)20-14-23(27-22-12-7-17(25)13-21(22)26)28-29-24(20)16-5-10-19(31-2)11-6-16/h3-14H,1-2H3,(H,27,28).
What are the key properties of N-(2,4-difluorophenyl)-5,6-bis(4-methoxyphenyl)pyridazin-3-amine?
N-(2,4-difluorophenyl)-5,6-bis(4-methoxyphenyl)pyridazin-3-amine has a molecular weight of 419.43 g/mol, XLogP of 5.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-5,6-bis(4-methoxyphenyl)pyridazin-3-amine is sourced from PubChem (CID 18760015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).