ethane;3-(5-fluoro-2-pyridinyl)-4,5,6-trimethylpyridazine

C18H30FN3 — CID 169124065

IUPACethane;3-(5-fluoro-2-pyridinyl)-4,5,6-trimethylpyridazine
SMILESCC.CC.CC.Cc1nnc(-c2ccc(F)cn2)c(C)c1C
InChIInChI=1S/C12H12FN3.3C2H6/c1-7-8(2)12(16-15-9(7)3)11-5-4-10(13)6-14-11;3*1-2/h4-6H,1-3H3;3*1-2H3
InChIKeyALFYMAPIVFOHDP-UHFFFAOYSA-N
MW307.46 g/mol
LogP5.68
Rot. Bonds1

About ethane;3-(5-fluoro-2-pyridinyl)-4,5,6-trimethylpyridazine

ethane;3-(5-fluoro-2-pyridinyl)-4,5,6-trimethylpyridazine (PubChem CID 169124065) has the molecular formula C18H30FN3 and a molecular weight of 307.46 g/mol. Its IUPAC name is ethane;3-(5-fluoro-2-pyridinyl)-4,5,6-trimethylpyridazine.

Molecular Properties

Compound Nameethane;3-(5-fluoro-2-pyridinyl)-4,5,6-trimethylpyridazine
PubChem CID169124065
Molecular FormulaC18H30FN3
Molecular Weight307.46 g/mol
Exact Mass307.24
IUPAC Nameethane;3-(5-fluoro-2-pyridinyl)-4,5,6-trimethylpyridazine
SMILESCC.CC.CC.Cc1nnc(-c2ccc(F)cn2)c(C)c1C
InChIInChI=1S/C12H12FN3.3C2H6/c1-7-8(2)12(16-15-9(7)3)11-5-4-10(13)6-14-11;3*1-2/h4-6H,1-3H3;3*1-2H3
InChIKeyALFYMAPIVFOHDP-UHFFFAOYSA-N
XLogP5.68
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.46
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(5-fluoro-2-pyridinyl)-5-methylpyridazin-3-amine
CID 112586154
[6-(5-fluoro-2-pyridinyl)-5-methylpyridazin-3-yl]hydrazine
CID 112586149
4-(5-fluoro-2-pyridinyl)-N,5-dimethylpyrimidin-2-amine
CID 112586479
3-(2-fluorophenyl)-4,5,6-trimethylpyridazine
CID 169124684
4-(5-fluoro-2-pyridinyl)-5-methylpyrimidine-2-carboxylic acid
CID 156842816
2,5-difluoropyridine;ethane
CID 156832194
[4-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazol-2-yl]hydrazine
CID 112586126
4-(5-fluoro-2-pyridinyl)-5-methyl-1H-imidazole-2-carbaldehyde
CID 112586582
6-bromo-2-(5-fluoro-2-pyridinyl)-3,7-dimethylimidazo[1,2-a]pyridine
CID 112586916
3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-amine
CID 83216674
[4-(5-fluoro-2-pyridinyl)thiadiazol-5-yl]methanamine
CID 83129731
2-[5-fluoro-4-(2-methoxy-4-pyridinyl)-6-methyl-2-pyridinyl]-5-(5-fluoro-2-pyridinyl)-1,3,4-oxadiazole
CID 167518459

Frequently Asked Questions

What is the IUPAC name of ethane;3-(5-fluoro-2-pyridinyl)-4,5,6-trimethylpyridazine?
The IUPAC name of ethane;3-(5-fluoro-2-pyridinyl)-4,5,6-trimethylpyridazine (CID 169124065) is ethane;3-(5-fluoro-2-pyridinyl)-4,5,6-trimethylpyridazine.
What is the SMILES notation for ethane;3-(5-fluoro-2-pyridinyl)-4,5,6-trimethylpyridazine?
The canonical SMILES for ethane;3-(5-fluoro-2-pyridinyl)-4,5,6-trimethylpyridazine is CC.CC.CC.Cc1nnc(-c2ccc(F)cn2)c(C)c1C.
What is the InChIKey of ethane;3-(5-fluoro-2-pyridinyl)-4,5,6-trimethylpyridazine?
The InChIKey is ALFYMAPIVFOHDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3.3C2H6/c1-7-8(2)12(16-15-9(7)3)11-5-4-10(13)6-14-11;3*1-2/h4-6H,1-3H3;3*1-2H3.
What are the key properties of ethane;3-(5-fluoro-2-pyridinyl)-4,5,6-trimethylpyridazine?
ethane;3-(5-fluoro-2-pyridinyl)-4,5,6-trimethylpyridazine has a molecular weight of 307.46 g/mol, XLogP of 5.68, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(5-fluoro-2-pyridinyl)-4,5,6-trimethylpyridazine is sourced from PubChem (CID 169124065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).