3-N-(5-fluoro-2-methoxyphenyl)-6-N,6-N-dimethylimidazo[1,2-b]pyridazine-3,6-diamine

C15H16FN5O — CID 134805692

IUPAC3-N-(5-fluoro-2-methoxyphenyl)-6-N,6-N-dimethylimidazo[1,2-b]pyridazine-3,6-diamine
SMILESCOc1ccc(F)cc1Nc1cnc2ccc(N(C)C)nn12
InChIInChI=1S/C15H16FN5O/c1-20(2)14-7-6-13-17-9-15(21(13)19-14)18-11-8-10(16)4-5-12(11)22-3/h4-9,18H,1-3H3
InChIKeyYWDOWSMFHBLMRC-UHFFFAOYSA-N
MW301.33 g/mol
LogP2.69
Rot. Bonds4

About 3-N-(5-fluoro-2-methoxyphenyl)-6-N,6-N-dimethylimidazo[1,2-b]pyridazine-3,6-diamine

3-N-(5-fluoro-2-methoxyphenyl)-6-N,6-N-dimethylimidazo[1,2-b]pyridazine-3,6-diamine (PubChem CID 134805692) has the molecular formula C15H16FN5O and a molecular weight of 301.33 g/mol. Its IUPAC name is 3-N-(5-fluoro-2-methoxyphenyl)-6-N,6-N-dimethylimidazo[1,2-b]pyridazine-3,6-diamine.

Molecular Properties

Compound Name3-N-(5-fluoro-2-methoxyphenyl)-6-N,6-N-dimethylimidazo[1,2-b]pyridazine-3,6-diamine
PubChem CID134805692
Molecular FormulaC15H16FN5O
Molecular Weight301.33 g/mol
Exact Mass301.13
IUPAC Name3-N-(5-fluoro-2-methoxyphenyl)-6-N,6-N-dimethylimidazo[1,2-b]pyridazine-3,6-diamine
SMILESCOc1ccc(F)cc1Nc1cnc2ccc(N(C)C)nn12
InChIInChI=1S/C15H16FN5O/c1-20(2)14-7-6-13-17-9-15(21(13)19-14)18-11-8-10(16)4-5-12(11)22-3/h4-9,18H,1-3H3
InChIKeyYWDOWSMFHBLMRC-UHFFFAOYSA-N
XLogP2.69
TPSA54.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-N-(5-fluoro-2-methoxyphenyl)-6-N,6-N-dimethylimidazo[1,2-b]pyridazine-3,6-diamine?
The IUPAC name of 3-N-(5-fluoro-2-methoxyphenyl)-6-N,6-N-dimethylimidazo[1,2-b]pyridazine-3,6-diamine (CID 134805692) is 3-N-(5-fluoro-2-methoxyphenyl)-6-N,6-N-dimethylimidazo[1,2-b]pyridazine-3,6-diamine.
What is the SMILES notation for 3-N-(5-fluoro-2-methoxyphenyl)-6-N,6-N-dimethylimidazo[1,2-b]pyridazine-3,6-diamine?
The canonical SMILES for 3-N-(5-fluoro-2-methoxyphenyl)-6-N,6-N-dimethylimidazo[1,2-b]pyridazine-3,6-diamine is COc1ccc(F)cc1Nc1cnc2ccc(N(C)C)nn12.
What is the InChIKey of 3-N-(5-fluoro-2-methoxyphenyl)-6-N,6-N-dimethylimidazo[1,2-b]pyridazine-3,6-diamine?
The InChIKey is YWDOWSMFHBLMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN5O/c1-20(2)14-7-6-13-17-9-15(21(13)19-14)18-11-8-10(16)4-5-12(11)22-3/h4-9,18H,1-3H3.
What are the key properties of 3-N-(5-fluoro-2-methoxyphenyl)-6-N,6-N-dimethylimidazo[1,2-b]pyridazine-3,6-diamine?
3-N-(5-fluoro-2-methoxyphenyl)-6-N,6-N-dimethylimidazo[1,2-b]pyridazine-3,6-diamine has a molecular weight of 301.33 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(5-fluoro-2-methoxyphenyl)-6-N,6-N-dimethylimidazo[1,2-b]pyridazine-3,6-diamine is sourced from PubChem (CID 134805692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).