6-(3-fluoro-2-methylphenyl)-N,4,5-trimethylpyridazin-3-amine

C14H16FN3 — CID 113324521

IUPAC6-(3-fluoro-2-methylphenyl)-N,4,5-trimethylpyridazin-3-amine
SMILESCNc1nnc(-c2cccc(F)c2C)c(C)c1C
InChIInChI=1S/C14H16FN3/c1-8-9(2)14(16-4)18-17-13(8)11-6-5-7-12(15)10(11)3/h5-7H,1-4H3,(H,16,18)
InChIKeyVGDWOZYBQBFRHB-UHFFFAOYSA-N
MW245.30 g/mol
LogP3.25
Rot. Bonds2

About 6-(3-fluoro-2-methylphenyl)-N,4,5-trimethylpyridazin-3-amine

6-(3-fluoro-2-methylphenyl)-N,4,5-trimethylpyridazin-3-amine (PubChem CID 113324521) has the molecular formula C14H16FN3 and a molecular weight of 245.30 g/mol. Its IUPAC name is 6-(3-fluoro-2-methylphenyl)-N,4,5-trimethylpyridazin-3-amine.

Molecular Properties

Compound Name6-(3-fluoro-2-methylphenyl)-N,4,5-trimethylpyridazin-3-amine
PubChem CID113324521
Molecular FormulaC14H16FN3
Molecular Weight245.30 g/mol
Exact Mass245.13
IUPAC Name6-(3-fluoro-2-methylphenyl)-N,4,5-trimethylpyridazin-3-amine
SMILESCNc1nnc(-c2cccc(F)c2C)c(C)c1C
InChIInChI=1S/C14H16FN3/c1-8-9(2)14(16-4)18-17-13(8)11-6-5-7-12(15)10(11)3/h5-7H,1-4H3,(H,16,18)
InChIKeyVGDWOZYBQBFRHB-UHFFFAOYSA-N
XLogP3.25
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(3-fluoro-2-methylphenyl)-N,4,5-trimethylpyridazin-3-amine?
The IUPAC name of 6-(3-fluoro-2-methylphenyl)-N,4,5-trimethylpyridazin-3-amine (CID 113324521) is 6-(3-fluoro-2-methylphenyl)-N,4,5-trimethylpyridazin-3-amine.
What is the SMILES notation for 6-(3-fluoro-2-methylphenyl)-N,4,5-trimethylpyridazin-3-amine?
The canonical SMILES for 6-(3-fluoro-2-methylphenyl)-N,4,5-trimethylpyridazin-3-amine is CNc1nnc(-c2cccc(F)c2C)c(C)c1C.
What is the InChIKey of 6-(3-fluoro-2-methylphenyl)-N,4,5-trimethylpyridazin-3-amine?
The InChIKey is VGDWOZYBQBFRHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3/c1-8-9(2)14(16-4)18-17-13(8)11-6-5-7-12(15)10(11)3/h5-7H,1-4H3,(H,16,18).
What are the key properties of 6-(3-fluoro-2-methylphenyl)-N,4,5-trimethylpyridazin-3-amine?
6-(3-fluoro-2-methylphenyl)-N,4,5-trimethylpyridazin-3-amine has a molecular weight of 245.30 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluoro-2-methylphenyl)-N,4,5-trimethylpyridazin-3-amine is sourced from PubChem (CID 113324521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).