4-[4-(3,5-dimethylpyridazin-4-yl)-3-fluorophenoxy]pyrrolo[2,1-f][1,2,4]triazine

C18H14FN5O — CID 118488442

IUPAC4-[4-(3,5-dimethylpyridazin-4-yl)-3-fluorophenoxy]pyrrolo[2,1-f][1,2,4]triazine
SMILESCc1cnnc(C)c1-c1ccc(Oc2ncnn3cccc23)cc1F
InChIInChI=1S/C18H14FN5O/c1-11-9-21-23-12(2)17(11)14-6-5-13(8-15(14)19)25-18-16-4-3-7-24(16)22-10-20-18/h3-10H,1-2H3
InChIKeyIJIFZAXYJAONMW-UHFFFAOYSA-N
MW335.34 g/mol
LogP3.73
Rot. Bonds3

About 4-[4-(3,5-dimethylpyridazin-4-yl)-3-fluorophenoxy]pyrrolo[2,1-f][1,2,4]triazine

4-[4-(3,5-dimethylpyridazin-4-yl)-3-fluorophenoxy]pyrrolo[2,1-f][1,2,4]triazine (PubChem CID 118488442) has the molecular formula C18H14FN5O and a molecular weight of 335.34 g/mol. Its IUPAC name is 4-[4-(3,5-dimethylpyridazin-4-yl)-3-fluorophenoxy]pyrrolo[2,1-f][1,2,4]triazine.

Molecular Properties

Compound Name4-[4-(3,5-dimethylpyridazin-4-yl)-3-fluorophenoxy]pyrrolo[2,1-f][1,2,4]triazine
PubChem CID118488442
Molecular FormulaC18H14FN5O
Molecular Weight335.34 g/mol
Exact Mass335.12
IUPAC Name4-[4-(3,5-dimethylpyridazin-4-yl)-3-fluorophenoxy]pyrrolo[2,1-f][1,2,4]triazine
SMILESCc1cnnc(C)c1-c1ccc(Oc2ncnn3cccc23)cc1F
InChIInChI=1S/C18H14FN5O/c1-11-9-21-23-12(2)17(11)14-6-5-13(8-15(14)19)25-18-16-4-3-7-24(16)22-10-20-18/h3-10H,1-2H3
InChIKeyIJIFZAXYJAONMW-UHFFFAOYSA-N
XLogP3.73
TPSA65.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(3,5-dimethylpyridazin-4-yl)-3-fluorophenoxy]pyrrolo[2,1-f][1,2,4]triazine?
The IUPAC name of 4-[4-(3,5-dimethylpyridazin-4-yl)-3-fluorophenoxy]pyrrolo[2,1-f][1,2,4]triazine (CID 118488442) is 4-[4-(3,5-dimethylpyridazin-4-yl)-3-fluorophenoxy]pyrrolo[2,1-f][1,2,4]triazine.
What is the SMILES notation for 4-[4-(3,5-dimethylpyridazin-4-yl)-3-fluorophenoxy]pyrrolo[2,1-f][1,2,4]triazine?
The canonical SMILES for 4-[4-(3,5-dimethylpyridazin-4-yl)-3-fluorophenoxy]pyrrolo[2,1-f][1,2,4]triazine is Cc1cnnc(C)c1-c1ccc(Oc2ncnn3cccc23)cc1F.
What is the InChIKey of 4-[4-(3,5-dimethylpyridazin-4-yl)-3-fluorophenoxy]pyrrolo[2,1-f][1,2,4]triazine?
The InChIKey is IJIFZAXYJAONMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN5O/c1-11-9-21-23-12(2)17(11)14-6-5-13(8-15(14)19)25-18-16-4-3-7-24(16)22-10-20-18/h3-10H,1-2H3.
What are the key properties of 4-[4-(3,5-dimethylpyridazin-4-yl)-3-fluorophenoxy]pyrrolo[2,1-f][1,2,4]triazine?
4-[4-(3,5-dimethylpyridazin-4-yl)-3-fluorophenoxy]pyrrolo[2,1-f][1,2,4]triazine has a molecular weight of 335.34 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3,5-dimethylpyridazin-4-yl)-3-fluorophenoxy]pyrrolo[2,1-f][1,2,4]triazine is sourced from PubChem (CID 118488442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).