3-fluoropyridazin-4-amine

C4H4FN3 — CID 67258976

IUPAC3-fluoropyridazin-4-amine
SMILESNc1ccnnc1F
InChIInChI=1S/C4H4FN3/c5-4-3(6)1-2-7-8-4/h1-2H,(H2,6,7)
InChIKeyFTOMAARSBMTUSK-UHFFFAOYSA-N
MW113.09 g/mol
LogP0.20
Rot. Bonds

About 3-fluoropyridazin-4-amine

3-fluoropyridazin-4-amine (PubChem CID 67258976) has the molecular formula C4H4FN3 and a molecular weight of 113.09 g/mol. Its IUPAC name is 3-fluoropyridazin-4-amine.

Molecular Properties

Compound Name3-fluoropyridazin-4-amine
PubChem CID67258976
Molecular FormulaC4H4FN3
Molecular Weight113.09 g/mol
Exact Mass113.04
IUPAC Name3-fluoropyridazin-4-amine
SMILESNc1ccnnc1F
InChIInChI=1S/C4H4FN3/c5-4-3(6)1-2-7-8-4/h1-2H,(H2,6,7)
InChIKeyFTOMAARSBMTUSK-UHFFFAOYSA-N
XLogP0.20
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.09
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-fluoropyridazin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-fluoropyridazin-4-amine?
The IUPAC name of 3-fluoropyridazin-4-amine (CID 67258976) is 3-fluoropyridazin-4-amine.
What is the SMILES notation for 3-fluoropyridazin-4-amine?
The canonical SMILES for 3-fluoropyridazin-4-amine is Nc1ccnnc1F.
What is the InChIKey of 3-fluoropyridazin-4-amine?
The InChIKey is FTOMAARSBMTUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4FN3/c5-4-3(6)1-2-7-8-4/h1-2H,(H2,6,7).
What are the key properties of 3-fluoropyridazin-4-amine?
3-fluoropyridazin-4-amine has a molecular weight of 113.09 g/mol, XLogP of 0.20, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoropyridazin-4-amine is sourced from PubChem (CID 67258976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).