N-tert-butyl-6-fluoropyridazin-3-amine

C8H12FN3 — CID 138648701

IUPACN-tert-butyl-6-fluoropyridazin-3-amine
SMILESCC(C)(C)Nc1ccc(F)nn1
InChIInChI=1S/C8H12FN3/c1-8(2,3)10-7-5-4-6(9)11-12-7/h4-5H,1-3H3,(H,10,12)
InChIKeyWYNOCKRHKNWYKM-UHFFFAOYSA-N
MW169.20 g/mol
LogP1.83
Rot. Bonds1

About N-tert-butyl-6-fluoropyridazin-3-amine

N-tert-butyl-6-fluoropyridazin-3-amine (PubChem CID 138648701) has the molecular formula C8H12FN3 and a molecular weight of 169.20 g/mol. Its IUPAC name is N-tert-butyl-6-fluoropyridazin-3-amine.

Molecular Properties

Compound NameN-tert-butyl-6-fluoropyridazin-3-amine
PubChem CID138648701
Molecular FormulaC8H12FN3
Molecular Weight169.20 g/mol
Exact Mass169.10
IUPAC NameN-tert-butyl-6-fluoropyridazin-3-amine
SMILESCC(C)(C)Nc1ccc(F)nn1
InChIInChI=1S/C8H12FN3/c1-8(2,3)10-7-5-4-6(9)11-12-7/h4-5H,1-3H3,(H,10,12)
InChIKeyWYNOCKRHKNWYKM-UHFFFAOYSA-N
XLogP1.83
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-tert-butyl-6-fluoropyridazin-3-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 N-tert-butyl-6-fluoropyridazin-3-amine?
The IUPAC name of N-tert-butyl-6-fluoropyridazin-3-amine (CID 138648701) is N-tert-butyl-6-fluoropyridazin-3-amine.
What is the SMILES notation for N-tert-butyl-6-fluoropyridazin-3-amine?
The canonical SMILES for N-tert-butyl-6-fluoropyridazin-3-amine is CC(C)(C)Nc1ccc(F)nn1.
What is the InChIKey of N-tert-butyl-6-fluoropyridazin-3-amine?
The InChIKey is WYNOCKRHKNWYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN3/c1-8(2,3)10-7-5-4-6(9)11-12-7/h4-5H,1-3H3,(H,10,12).
What are the key properties of N-tert-butyl-6-fluoropyridazin-3-amine?
N-tert-butyl-6-fluoropyridazin-3-amine has a molecular weight of 169.20 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-6-fluoropyridazin-3-amine is sourced from PubChem (CID 138648701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).