2-fluoro-5-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)aniline

C12H10FN5 — CID 62043241

IUPAC2-fluoro-5-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)aniline
SMILESCc1ccc2nnc(-c3ccc(F)c(N)c3)n2n1
InChIInChI=1S/C12H10FN5/c1-7-2-5-11-15-16-12(18(11)17-7)8-3-4-9(13)10(14)6-8/h2-6H,14H2,1H3
InChIKeyZQJIFBAHJFVDPB-UHFFFAOYSA-N
MW243.25 g/mol
LogP1.82
Rot. Bonds1

About 2-fluoro-5-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)aniline

2-fluoro-5-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)aniline (PubChem CID 62043241) has the molecular formula C12H10FN5 and a molecular weight of 243.25 g/mol. Its IUPAC name is 2-fluoro-5-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)aniline.

Molecular Properties

Compound Name2-fluoro-5-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)aniline
PubChem CID62043241
Molecular FormulaC12H10FN5
Molecular Weight243.25 g/mol
Exact Mass243.09
IUPAC Name2-fluoro-5-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)aniline
SMILESCc1ccc2nnc(-c3ccc(F)c(N)c3)n2n1
InChIInChI=1S/C12H10FN5/c1-7-2-5-11-15-16-12(18(11)17-7)8-3-4-9(13)10(14)6-8/h2-6H,14H2,1H3
InChIKeyZQJIFBAHJFVDPB-UHFFFAOYSA-N
XLogP1.82
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.25
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)aniline?
The IUPAC name of 2-fluoro-5-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)aniline (CID 62043241) is 2-fluoro-5-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)aniline.
What is the SMILES notation for 2-fluoro-5-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)aniline?
The canonical SMILES for 2-fluoro-5-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)aniline is Cc1ccc2nnc(-c3ccc(F)c(N)c3)n2n1.
What is the InChIKey of 2-fluoro-5-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)aniline?
The InChIKey is ZQJIFBAHJFVDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN5/c1-7-2-5-11-15-16-12(18(11)17-7)8-3-4-9(13)10(14)6-8/h2-6H,14H2,1H3.
What are the key properties of 2-fluoro-5-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)aniline?
2-fluoro-5-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)aniline has a molecular weight of 243.25 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)aniline is sourced from PubChem (CID 62043241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).