6-(3-fluoro-2-methoxyphenyl)-N-methyl-4-phenylpyridazin-3-amine

C18H16FN3O — CID 134383235

IUPAC6-(3-fluoro-2-methoxyphenyl)-N-methyl-4-phenylpyridazin-3-amine
SMILESCNc1nnc(-c2cccc(F)c2OC)cc1-c1ccccc1
InChIInChI=1S/C18H16FN3O/c1-20-18-14(12-7-4-3-5-8-12)11-16(21-22-18)13-9-6-10-15(19)17(13)23-2/h3-11H,1-2H3,(H,20,22)
InChIKeyGNZMWCLLTMVZRS-UHFFFAOYSA-N
MW309.34 g/mol
LogP4.00
Rot. Bonds4

About 6-(3-fluoro-2-methoxyphenyl)-N-methyl-4-phenylpyridazin-3-amine

6-(3-fluoro-2-methoxyphenyl)-N-methyl-4-phenylpyridazin-3-amine (PubChem CID 134383235) has the molecular formula C18H16FN3O and a molecular weight of 309.34 g/mol. Its IUPAC name is 6-(3-fluoro-2-methoxyphenyl)-N-methyl-4-phenylpyridazin-3-amine.

Molecular Properties

Compound Name6-(3-fluoro-2-methoxyphenyl)-N-methyl-4-phenylpyridazin-3-amine
PubChem CID134383235
Molecular FormulaC18H16FN3O
Molecular Weight309.34 g/mol
Exact Mass309.13
IUPAC Name6-(3-fluoro-2-methoxyphenyl)-N-methyl-4-phenylpyridazin-3-amine
SMILESCNc1nnc(-c2cccc(F)c2OC)cc1-c1ccccc1
InChIInChI=1S/C18H16FN3O/c1-20-18-14(12-7-4-3-5-8-12)11-16(21-22-18)13-9-6-10-15(19)17(13)23-2/h3-11H,1-2H3,(H,20,22)
InChIKeyGNZMWCLLTMVZRS-UHFFFAOYSA-N
XLogP4.00
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3-fluoro-2-methoxyphenyl)-N-methyl-4-phenylpyridazin-3-amine?
The IUPAC name of 6-(3-fluoro-2-methoxyphenyl)-N-methyl-4-phenylpyridazin-3-amine (CID 134383235) is 6-(3-fluoro-2-methoxyphenyl)-N-methyl-4-phenylpyridazin-3-amine.
What is the SMILES notation for 6-(3-fluoro-2-methoxyphenyl)-N-methyl-4-phenylpyridazin-3-amine?
The canonical SMILES for 6-(3-fluoro-2-methoxyphenyl)-N-methyl-4-phenylpyridazin-3-amine is CNc1nnc(-c2cccc(F)c2OC)cc1-c1ccccc1.
What is the InChIKey of 6-(3-fluoro-2-methoxyphenyl)-N-methyl-4-phenylpyridazin-3-amine?
The InChIKey is GNZMWCLLTMVZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O/c1-20-18-14(12-7-4-3-5-8-12)11-16(21-22-18)13-9-6-10-15(19)17(13)23-2/h3-11H,1-2H3,(H,20,22).
What are the key properties of 6-(3-fluoro-2-methoxyphenyl)-N-methyl-4-phenylpyridazin-3-amine?
6-(3-fluoro-2-methoxyphenyl)-N-methyl-4-phenylpyridazin-3-amine has a molecular weight of 309.34 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluoro-2-methoxyphenyl)-N-methyl-4-phenylpyridazin-3-amine is sourced from PubChem (CID 134383235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).