N-methyl-1-[6-(3-methylphenyl)imidazo[1,2-b]pyridazin-2-yl]methanamine

C15H16N4 — CID 116821693

IUPACN-methyl-1-[6-(3-methylphenyl)imidazo[1,2-b]pyridazin-2-yl]methanamine
SMILESCNCc1cn2nc(-c3cccc(C)c3)ccc2n1
InChIInChI=1S/C15H16N4/c1-11-4-3-5-12(8-11)14-6-7-15-17-13(9-16-2)10-19(15)18-14/h3-8,10,16H,9H2,1-2H3
InChIKeyMSJKVOSYRYDVBE-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.42
Rot. Bonds3

About N-methyl-1-[6-(3-methylphenyl)imidazo[1,2-b]pyridazin-2-yl]methanamine

N-methyl-1-[6-(3-methylphenyl)imidazo[1,2-b]pyridazin-2-yl]methanamine (PubChem CID 116821693) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is N-methyl-1-[6-(3-methylphenyl)imidazo[1,2-b]pyridazin-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[6-(3-methylphenyl)imidazo[1,2-b]pyridazin-2-yl]methanamine
PubChem CID116821693
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC NameN-methyl-1-[6-(3-methylphenyl)imidazo[1,2-b]pyridazin-2-yl]methanamine
SMILESCNCc1cn2nc(-c3cccc(C)c3)ccc2n1
InChIInChI=1S/C15H16N4/c1-11-4-3-5-12(8-11)14-6-7-15-17-13(9-16-2)10-19(15)18-14/h3-8,10,16H,9H2,1-2H3
InChIKeyMSJKVOSYRYDVBE-UHFFFAOYSA-N
XLogP2.42
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[6-(3-methylphenyl)imidazo[1,2-b]pyridazin-2-yl]methanamine?
The IUPAC name of N-methyl-1-[6-(3-methylphenyl)imidazo[1,2-b]pyridazin-2-yl]methanamine (CID 116821693) is N-methyl-1-[6-(3-methylphenyl)imidazo[1,2-b]pyridazin-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[6-(3-methylphenyl)imidazo[1,2-b]pyridazin-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[6-(3-methylphenyl)imidazo[1,2-b]pyridazin-2-yl]methanamine is CNCc1cn2nc(-c3cccc(C)c3)ccc2n1.
What is the InChIKey of N-methyl-1-[6-(3-methylphenyl)imidazo[1,2-b]pyridazin-2-yl]methanamine?
The InChIKey is MSJKVOSYRYDVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c1-11-4-3-5-12(8-11)14-6-7-15-17-13(9-16-2)10-19(15)18-14/h3-8,10,16H,9H2,1-2H3.
What are the key properties of N-methyl-1-[6-(3-methylphenyl)imidazo[1,2-b]pyridazin-2-yl]methanamine?
N-methyl-1-[6-(3-methylphenyl)imidazo[1,2-b]pyridazin-2-yl]methanamine has a molecular weight of 252.32 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[6-(3-methylphenyl)imidazo[1,2-b]pyridazin-2-yl]methanamine is sourced from PubChem (CID 116821693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).