3-(2-tert-butyl-6-chlorophenoxy)pyridazin-4-amine

C14H16ClN3O — CID 68530145

IUPAC3-(2-tert-butyl-6-chlorophenoxy)pyridazin-4-amine
SMILESCC(C)(C)c1cccc(Cl)c1Oc1nnccc1N
InChIInChI=1S/C14H16ClN3O/c1-14(2,3)9-5-4-6-10(15)12(9)19-13-11(16)7-8-17-18-13/h4-8H,1-3H3,(H2,16,17)
InChIKeyGVMUALJGGOSPFT-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.80
Rot. Bonds2

About 3-(2-tert-butyl-6-chlorophenoxy)pyridazin-4-amine

3-(2-tert-butyl-6-chlorophenoxy)pyridazin-4-amine (PubChem CID 68530145) has the molecular formula C14H16ClN3O and a molecular weight of 277.75 g/mol. Its IUPAC name is 3-(2-tert-butyl-6-chlorophenoxy)pyridazin-4-amine.

Molecular Properties

Compound Name3-(2-tert-butyl-6-chlorophenoxy)pyridazin-4-amine
PubChem CID68530145
Molecular FormulaC14H16ClN3O
Molecular Weight277.75 g/mol
Exact Mass277.10
IUPAC Name3-(2-tert-butyl-6-chlorophenoxy)pyridazin-4-amine
SMILESCC(C)(C)c1cccc(Cl)c1Oc1nnccc1N
InChIInChI=1S/C14H16ClN3O/c1-14(2,3)9-5-4-6-10(15)12(9)19-13-11(16)7-8-17-18-13/h4-8H,1-3H3,(H2,16,17)
InChIKeyGVMUALJGGOSPFT-UHFFFAOYSA-N
XLogP3.80
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(2-tert-butyl-6-chlorophenoxy)pyridazin-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-(2-tert-butyl-6-chlorophenoxy)pyridazin-4-amine?
The IUPAC name of 3-(2-tert-butyl-6-chlorophenoxy)pyridazin-4-amine (CID 68530145) is 3-(2-tert-butyl-6-chlorophenoxy)pyridazin-4-amine.
What is the SMILES notation for 3-(2-tert-butyl-6-chlorophenoxy)pyridazin-4-amine?
The canonical SMILES for 3-(2-tert-butyl-6-chlorophenoxy)pyridazin-4-amine is CC(C)(C)c1cccc(Cl)c1Oc1nnccc1N.
What is the InChIKey of 3-(2-tert-butyl-6-chlorophenoxy)pyridazin-4-amine?
The InChIKey is GVMUALJGGOSPFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-14(2,3)9-5-4-6-10(15)12(9)19-13-11(16)7-8-17-18-13/h4-8H,1-3H3,(H2,16,17).
What are the key properties of 3-(2-tert-butyl-6-chlorophenoxy)pyridazin-4-amine?
3-(2-tert-butyl-6-chlorophenoxy)pyridazin-4-amine has a molecular weight of 277.75 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-tert-butyl-6-chlorophenoxy)pyridazin-4-amine is sourced from PubChem (CID 68530145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).