3-methyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]imidazo[1,2-b]pyridazine-2-carbonitrile

C19H16N6O — CID 118288259

IUPAC3-methyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]imidazo[1,2-b]pyridazine-2-carbonitrile
SMILESCc1c(C#N)nc2ccc(OCc3nc(-c4ccccc4)cn3C)nn12
InChIInChI=1S/C19H16N6O/c1-13-15(10-20)21-17-8-9-19(23-25(13)17)26-12-18-22-16(11-24(18)2)14-6-4-3-5-7-14/h3-9,11H,12H2,1-2H3
InChIKeyJZNLDXSPACNNNC-UHFFFAOYSA-N
MW344.38 g/mol
LogP2.89
Rot. Bonds4

About 3-methyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]imidazo[1,2-b]pyridazine-2-carbonitrile

3-methyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]imidazo[1,2-b]pyridazine-2-carbonitrile (PubChem CID 118288259) has the molecular formula C19H16N6O and a molecular weight of 344.38 g/mol. Its IUPAC name is 3-methyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]imidazo[1,2-b]pyridazine-2-carbonitrile.

Molecular Properties

Compound Name3-methyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]imidazo[1,2-b]pyridazine-2-carbonitrile
PubChem CID118288259
Molecular FormulaC19H16N6O
Molecular Weight344.38 g/mol
Exact Mass344.14
IUPAC Name3-methyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]imidazo[1,2-b]pyridazine-2-carbonitrile
SMILESCc1c(C#N)nc2ccc(OCc3nc(-c4ccccc4)cn3C)nn12
InChIInChI=1S/C19H16N6O/c1-13-15(10-20)21-17-8-9-19(23-25(13)17)26-12-18-22-16(11-24(18)2)14-6-4-3-5-7-14/h3-9,11H,12H2,1-2H3
InChIKeyJZNLDXSPACNNNC-UHFFFAOYSA-N
XLogP2.89
TPSA81.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]imidazo[1,2-b]pyridazine-2-carbonitrile?
The IUPAC name of 3-methyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]imidazo[1,2-b]pyridazine-2-carbonitrile (CID 118288259) is 3-methyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]imidazo[1,2-b]pyridazine-2-carbonitrile.
What is the SMILES notation for 3-methyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]imidazo[1,2-b]pyridazine-2-carbonitrile?
The canonical SMILES for 3-methyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]imidazo[1,2-b]pyridazine-2-carbonitrile is Cc1c(C#N)nc2ccc(OCc3nc(-c4ccccc4)cn3C)nn12.
What is the InChIKey of 3-methyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]imidazo[1,2-b]pyridazine-2-carbonitrile?
The InChIKey is JZNLDXSPACNNNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O/c1-13-15(10-20)21-17-8-9-19(23-25(13)17)26-12-18-22-16(11-24(18)2)14-6-4-3-5-7-14/h3-9,11H,12H2,1-2H3.
What are the key properties of 3-methyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]imidazo[1,2-b]pyridazine-2-carbonitrile?
3-methyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]imidazo[1,2-b]pyridazine-2-carbonitrile has a molecular weight of 344.38 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]imidazo[1,2-b]pyridazine-2-carbonitrile is sourced from PubChem (CID 118288259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).