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

C16H20FN3 — CID 115503020

IUPAC6-(3-fluoro-2-methylphenyl)-4,5-dimethyl-N-propylpyridazin-3-amine
SMILESCCCNc1nnc(-c2cccc(F)c2C)c(C)c1C
InChIInChI=1S/C16H20FN3/c1-5-9-18-16-11(3)10(2)15(19-20-16)13-7-6-8-14(17)12(13)4/h6-8H,5,9H2,1-4H3,(H,18,20)
InChIKeyJBWBGTAZYXXOKU-UHFFFAOYSA-N
MW273.35 g/mol
LogP4.03
Rot. Bonds4

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

6-(3-fluoro-2-methylphenyl)-4,5-dimethyl-N-propylpyridazin-3-amine (PubChem CID 115503020) has the molecular formula C16H20FN3 and a molecular weight of 273.35 g/mol. Its IUPAC name is 6-(3-fluoro-2-methylphenyl)-4,5-dimethyl-N-propylpyridazin-3-amine.

Molecular Properties

Compound Name6-(3-fluoro-2-methylphenyl)-4,5-dimethyl-N-propylpyridazin-3-amine
PubChem CID115503020
Molecular FormulaC16H20FN3
Molecular Weight273.35 g/mol
Exact Mass273.16
IUPAC Name6-(3-fluoro-2-methylphenyl)-4,5-dimethyl-N-propylpyridazin-3-amine
SMILESCCCNc1nnc(-c2cccc(F)c2C)c(C)c1C
InChIInChI=1S/C16H20FN3/c1-5-9-18-16-11(3)10(2)15(19-20-16)13-7-6-8-14(17)12(13)4/h6-8H,5,9H2,1-4H3,(H,18,20)
InChIKeyJBWBGTAZYXXOKU-UHFFFAOYSA-N
XLogP4.03
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 54.03
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)-4,5-dimethyl-N-propylpyridazin-3-amine?
The IUPAC name of 6-(3-fluoro-2-methylphenyl)-4,5-dimethyl-N-propylpyridazin-3-amine (CID 115503020) is 6-(3-fluoro-2-methylphenyl)-4,5-dimethyl-N-propylpyridazin-3-amine.
What is the SMILES notation for 6-(3-fluoro-2-methylphenyl)-4,5-dimethyl-N-propylpyridazin-3-amine?
The canonical SMILES for 6-(3-fluoro-2-methylphenyl)-4,5-dimethyl-N-propylpyridazin-3-amine is CCCNc1nnc(-c2cccc(F)c2C)c(C)c1C.
What is the InChIKey of 6-(3-fluoro-2-methylphenyl)-4,5-dimethyl-N-propylpyridazin-3-amine?
The InChIKey is JBWBGTAZYXXOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3/c1-5-9-18-16-11(3)10(2)15(19-20-16)13-7-6-8-14(17)12(13)4/h6-8H,5,9H2,1-4H3,(H,18,20).
What are the key properties of 6-(3-fluoro-2-methylphenyl)-4,5-dimethyl-N-propylpyridazin-3-amine?
6-(3-fluoro-2-methylphenyl)-4,5-dimethyl-N-propylpyridazin-3-amine has a molecular weight of 273.35 g/mol, XLogP of 4.03, 4 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)-4,5-dimethyl-N-propylpyridazin-3-amine is sourced from PubChem (CID 115503020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).