N-[3-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]-N',N'-dimethylethane-1,2-diamine

C18H23N5O2 — CID 24997044

IUPACN-[3-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCOc1ccc(-c2cnc3ccc(NCCN(C)C)nn23)cc1OC
InChIInChI=1S/C18H23N5O2/c1-22(2)10-9-19-17-7-8-18-20-12-14(23(18)21-17)13-5-6-15(24-3)16(11-13)25-4/h5-8,11-12H,9-10H2,1-4H3,(H,19,21)
InChIKeyLYHLQIFOPXGZOJ-UHFFFAOYSA-N
MW341.42 g/mol
LogP2.39
Rot. Bonds7

About N-[3-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]-N',N'-dimethylethane-1,2-diamine

N-[3-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 24997044) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is N-[3-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[3-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]-N',N'-dimethylethane-1,2-diamine
PubChem CID24997044
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC NameN-[3-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCOc1ccc(-c2cnc3ccc(NCCN(C)C)nn23)cc1OC
InChIInChI=1S/C18H23N5O2/c1-22(2)10-9-19-17-7-8-18-20-12-14(23(18)21-17)13-5-6-15(24-3)16(11-13)25-4/h5-8,11-12H,9-10H2,1-4H3,(H,19,21)
InChIKeyLYHLQIFOPXGZOJ-UHFFFAOYSA-N
XLogP2.39
TPSA63.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[3-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]-N',N'-dimethylethane-1,2-diamine (CID 24997044) is N-[3-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[3-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[3-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]-N',N'-dimethylethane-1,2-diamine is COc1ccc(-c2cnc3ccc(NCCN(C)C)nn23)cc1OC.
What is the InChIKey of N-[3-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is LYHLQIFOPXGZOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-22(2)10-9-19-17-7-8-18-20-12-14(23(18)21-17)13-5-6-15(24-3)16(11-13)25-4/h5-8,11-12H,9-10H2,1-4H3,(H,19,21).
What are the key properties of N-[3-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]-N',N'-dimethylethane-1,2-diamine?
N-[3-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 341.42 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 24997044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).