N-methyl-3-phenylimidazo[1,2-b]pyridazin-6-amine

C13H12N4 — CID 78426827

IUPACN-methyl-3-phenylimidazo[1,2-b]pyridazin-6-amine
SMILESCNc1ccc2ncc(-c3ccccc3)n2n1
InChIInChI=1S/C13H12N4/c1-14-12-7-8-13-15-9-11(17(13)16-12)10-5-3-2-4-6-10/h2-9H,1H3,(H,14,16)
InChIKeyWTKVTYSNQCKJAV-UHFFFAOYSA-N
MW224.27 g/mol
LogP2.44
Rot. Bonds2

About N-methyl-3-phenylimidazo[1,2-b]pyridazin-6-amine

N-methyl-3-phenylimidazo[1,2-b]pyridazin-6-amine (PubChem CID 78426827) has the molecular formula C13H12N4 and a molecular weight of 224.27 g/mol. Its IUPAC name is N-methyl-3-phenylimidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-methyl-3-phenylimidazo[1,2-b]pyridazin-6-amine
PubChem CID78426827
Molecular FormulaC13H12N4
Molecular Weight224.27 g/mol
Exact Mass224.11
IUPAC NameN-methyl-3-phenylimidazo[1,2-b]pyridazin-6-amine
SMILESCNc1ccc2ncc(-c3ccccc3)n2n1
InChIInChI=1S/C13H12N4/c1-14-12-7-8-13-15-9-11(17(13)16-12)10-5-3-2-4-6-10/h2-9H,1H3,(H,14,16)
InChIKeyWTKVTYSNQCKJAV-UHFFFAOYSA-N
XLogP2.44
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-phenylimidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of N-methyl-3-phenylimidazo[1,2-b]pyridazin-6-amine (CID 78426827) is N-methyl-3-phenylimidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for N-methyl-3-phenylimidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for N-methyl-3-phenylimidazo[1,2-b]pyridazin-6-amine is CNc1ccc2ncc(-c3ccccc3)n2n1.
What is the InChIKey of N-methyl-3-phenylimidazo[1,2-b]pyridazin-6-amine?
The InChIKey is WTKVTYSNQCKJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4/c1-14-12-7-8-13-15-9-11(17(13)16-12)10-5-3-2-4-6-10/h2-9H,1H3,(H,14,16).
What are the key properties of N-methyl-3-phenylimidazo[1,2-b]pyridazin-6-amine?
N-methyl-3-phenylimidazo[1,2-b]pyridazin-6-amine has a molecular weight of 224.27 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-phenylimidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 78426827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).