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

C18H16FN3O2 — CID 6411240

IUPAC6-(3,4-dimethoxyphenyl)-N-(2-fluorophenyl)pyridazin-3-amine
SMILESCOc1ccc(-c2ccc(Nc3ccccc3F)nn2)cc1OC
InChIInChI=1S/C18H16FN3O2/c1-23-16-9-7-12(11-17(16)24-2)14-8-10-18(22-21-14)20-15-6-4-3-5-13(15)19/h3-11H,1-2H3,(H,20,22)
InChIKeyGPTMMVQDPZMBFP-UHFFFAOYSA-N
MW325.34 g/mol
LogP4.04
Rot. Bonds5

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

6-(3,4-dimethoxyphenyl)-N-(2-fluorophenyl)pyridazin-3-amine (PubChem CID 6411240) has the molecular formula C18H16FN3O2 and a molecular weight of 325.34 g/mol. Its IUPAC name is 6-(3,4-dimethoxyphenyl)-N-(2-fluorophenyl)pyridazin-3-amine.

Molecular Properties

Compound Name6-(3,4-dimethoxyphenyl)-N-(2-fluorophenyl)pyridazin-3-amine
PubChem CID6411240
Molecular FormulaC18H16FN3O2
Molecular Weight325.34 g/mol
Exact Mass325.12
IUPAC Name6-(3,4-dimethoxyphenyl)-N-(2-fluorophenyl)pyridazin-3-amine
SMILESCOc1ccc(-c2ccc(Nc3ccccc3F)nn2)cc1OC
InChIInChI=1S/C18H16FN3O2/c1-23-16-9-7-12(11-17(16)24-2)14-8-10-18(22-21-14)20-15-6-4-3-5-13(15)19/h3-11H,1-2H3,(H,20,22)
InChIKeyGPTMMVQDPZMBFP-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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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethoxyphenyl)-N-(2-fluorophenyl)pyridazin-3-amine?
The IUPAC name of 6-(3,4-dimethoxyphenyl)-N-(2-fluorophenyl)pyridazin-3-amine (CID 6411240) is 6-(3,4-dimethoxyphenyl)-N-(2-fluorophenyl)pyridazin-3-amine.
What is the SMILES notation for 6-(3,4-dimethoxyphenyl)-N-(2-fluorophenyl)pyridazin-3-amine?
The canonical SMILES for 6-(3,4-dimethoxyphenyl)-N-(2-fluorophenyl)pyridazin-3-amine is COc1ccc(-c2ccc(Nc3ccccc3F)nn2)cc1OC.
What is the InChIKey of 6-(3,4-dimethoxyphenyl)-N-(2-fluorophenyl)pyridazin-3-amine?
The InChIKey is GPTMMVQDPZMBFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2/c1-23-16-9-7-12(11-17(16)24-2)14-8-10-18(22-21-14)20-15-6-4-3-5-13(15)19/h3-11H,1-2H3,(H,20,22).
What are the key properties of 6-(3,4-dimethoxyphenyl)-N-(2-fluorophenyl)pyridazin-3-amine?
6-(3,4-dimethoxyphenyl)-N-(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 6-(3,4-dimethoxyphenyl)-N-(2-fluorophenyl)pyridazin-3-amine is sourced from PubChem (CID 6411240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).