5-[6-(cyclopropylamino)imidazo[1,2-b]pyridazin-3-yl]-1,2-benzoxazol-3-amine

C16H14N6O — CID 134158090

IUPAC5-[6-(cyclopropylamino)imidazo[1,2-b]pyridazin-3-yl]-1,2-benzoxazol-3-amine
SMILESNc1noc2ccc(-c3cnc4ccc(NC5CC5)nn34)cc12
InChIInChI=1S/C16H14N6O/c17-16-11-7-9(1-4-13(11)23-21-16)12-8-18-15-6-5-14(20-22(12)15)19-10-2-3-10/h1,4-8,10H,2-3H2,(H2,17,21)(H,19,20)
InChIKeyFHAMKHFEMDHUAD-UHFFFAOYSA-N
MW306.33 g/mol
LogP2.69
Rot. Bonds3

About 5-[6-(cyclopropylamino)imidazo[1,2-b]pyridazin-3-yl]-1,2-benzoxazol-3-amine

5-[6-(cyclopropylamino)imidazo[1,2-b]pyridazin-3-yl]-1,2-benzoxazol-3-amine (PubChem CID 134158090) has the molecular formula C16H14N6O and a molecular weight of 306.33 g/mol. Its IUPAC name is 5-[6-(cyclopropylamino)imidazo[1,2-b]pyridazin-3-yl]-1,2-benzoxazol-3-amine.

Molecular Properties

Compound Name5-[6-(cyclopropylamino)imidazo[1,2-b]pyridazin-3-yl]-1,2-benzoxazol-3-amine
PubChem CID134158090
Molecular FormulaC16H14N6O
Molecular Weight306.33 g/mol
Exact Mass306.12
IUPAC Name5-[6-(cyclopropylamino)imidazo[1,2-b]pyridazin-3-yl]-1,2-benzoxazol-3-amine
SMILESNc1noc2ccc(-c3cnc4ccc(NC5CC5)nn34)cc12
InChIInChI=1S/C16H14N6O/c17-16-11-7-9(1-4-13(11)23-21-16)12-8-18-15-6-5-14(20-22(12)15)19-10-2-3-10/h1,4-8,10H,2-3H2,(H2,17,21)(H,19,20)
InChIKeyFHAMKHFEMDHUAD-UHFFFAOYSA-N
XLogP2.69
TPSA94.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[6-(cyclopropylamino)imidazo[1,2-b]pyridazin-3-yl]-1,2-benzoxazol-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 5-[6-(cyclopropylamino)imidazo[1,2-b]pyridazin-3-yl]-1,2-benzoxazol-3-amine?
The IUPAC name of 5-[6-(cyclopropylamino)imidazo[1,2-b]pyridazin-3-yl]-1,2-benzoxazol-3-amine (CID 134158090) is 5-[6-(cyclopropylamino)imidazo[1,2-b]pyridazin-3-yl]-1,2-benzoxazol-3-amine.
What is the SMILES notation for 5-[6-(cyclopropylamino)imidazo[1,2-b]pyridazin-3-yl]-1,2-benzoxazol-3-amine?
The canonical SMILES for 5-[6-(cyclopropylamino)imidazo[1,2-b]pyridazin-3-yl]-1,2-benzoxazol-3-amine is Nc1noc2ccc(-c3cnc4ccc(NC5CC5)nn34)cc12.
What is the InChIKey of 5-[6-(cyclopropylamino)imidazo[1,2-b]pyridazin-3-yl]-1,2-benzoxazol-3-amine?
The InChIKey is FHAMKHFEMDHUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6O/c17-16-11-7-9(1-4-13(11)23-21-16)12-8-18-15-6-5-14(20-22(12)15)19-10-2-3-10/h1,4-8,10H,2-3H2,(H2,17,21)(H,19,20).
What are the key properties of 5-[6-(cyclopropylamino)imidazo[1,2-b]pyridazin-3-yl]-1,2-benzoxazol-3-amine?
5-[6-(cyclopropylamino)imidazo[1,2-b]pyridazin-3-yl]-1,2-benzoxazol-3-amine has a molecular weight of 306.33 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(cyclopropylamino)imidazo[1,2-b]pyridazin-3-yl]-1,2-benzoxazol-3-amine is sourced from PubChem (CID 134158090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).