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

C20H18N6 — CID 118278115

IUPAC3-methyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine-2-carbonitrile
SMILESCc1c(C#N)nc2ccc(CCc3nc(-c4ccccc4)cn3C)nn12
InChIInChI=1S/C20H18N6/c1-14-17(12-21)22-20-11-9-16(24-26(14)20)8-10-19-23-18(13-25(19)2)15-6-4-3-5-7-15/h3-7,9,11,13H,8,10H2,1-2H3
InChIKeyAUUUDLNRVGGCGE-UHFFFAOYSA-N
MW342.41 g/mol
LogP3.10
Rot. Bonds4

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

3-methyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine-2-carbonitrile (PubChem CID 118278115) has the molecular formula C20H18N6 and a molecular weight of 342.41 g/mol. Its IUPAC name is 3-methyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine-2-carbonitrile.

Molecular Properties

Compound Name3-methyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine-2-carbonitrile
PubChem CID118278115
Molecular FormulaC20H18N6
Molecular Weight342.41 g/mol
Exact Mass342.16
IUPAC Name3-methyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine-2-carbonitrile
SMILESCc1c(C#N)nc2ccc(CCc3nc(-c4ccccc4)cn3C)nn12
InChIInChI=1S/C20H18N6/c1-14-17(12-21)22-20-11-9-16(24-26(14)20)8-10-19-23-18(13-25(19)2)15-6-4-3-5-7-15/h3-7,9,11,13H,8,10H2,1-2H3
InChIKeyAUUUDLNRVGGCGE-UHFFFAOYSA-N
XLogP3.10
TPSA71.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine-2-carbonitrile?
The IUPAC name of 3-methyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine-2-carbonitrile (CID 118278115) is 3-methyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine-2-carbonitrile.
What is the SMILES notation for 3-methyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine-2-carbonitrile?
The canonical SMILES for 3-methyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine-2-carbonitrile is Cc1c(C#N)nc2ccc(CCc3nc(-c4ccccc4)cn3C)nn12.
What is the InChIKey of 3-methyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine-2-carbonitrile?
The InChIKey is AUUUDLNRVGGCGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6/c1-14-17(12-21)22-20-11-9-16(24-26(14)20)8-10-19-23-18(13-25(19)2)15-6-4-3-5-7-15/h3-7,9,11,13H,8,10H2,1-2H3.
What are the key properties of 3-methyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine-2-carbonitrile?
3-methyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine-2-carbonitrile has a molecular weight of 342.41 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine-2-carbonitrile is sourced from PubChem (CID 118278115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).