2-(6,7-diphenylimidazo[1,2-b]pyridazin-3-yl)acetonitrile

C20H14N4 — CID 141441388

IUPAC2-(6,7-diphenylimidazo[1,2-b]pyridazin-3-yl)acetonitrile
SMILESN#CCc1cnc2cc(-c3ccccc3)c(-c3ccccc3)nn12
InChIInChI=1S/C20H14N4/c21-12-11-17-14-22-19-13-18(15-7-3-1-4-8-15)20(23-24(17)19)16-9-5-2-6-10-16/h1-10,13-14H,11H2
InChIKeyRTVILRRMQRSQLI-UHFFFAOYSA-N
MW310.36 g/mol
LogP4.13
Rot. Bonds3

About 2-(6,7-diphenylimidazo[1,2-b]pyridazin-3-yl)acetonitrile

2-(6,7-diphenylimidazo[1,2-b]pyridazin-3-yl)acetonitrile (PubChem CID 141441388) has the molecular formula C20H14N4 and a molecular weight of 310.36 g/mol. Its IUPAC name is 2-(6,7-diphenylimidazo[1,2-b]pyridazin-3-yl)acetonitrile.

Molecular Properties

Compound Name2-(6,7-diphenylimidazo[1,2-b]pyridazin-3-yl)acetonitrile
PubChem CID141441388
Molecular FormulaC20H14N4
Molecular Weight310.36 g/mol
Exact Mass310.12
IUPAC Name2-(6,7-diphenylimidazo[1,2-b]pyridazin-3-yl)acetonitrile
SMILESN#CCc1cnc2cc(-c3ccccc3)c(-c3ccccc3)nn12
InChIInChI=1S/C20H14N4/c21-12-11-17-14-22-19-13-18(15-7-3-1-4-8-15)20(23-24(17)19)16-9-5-2-6-10-16/h1-10,13-14H,11H2
InChIKeyRTVILRRMQRSQLI-UHFFFAOYSA-N
XLogP4.13
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Amino-1-Methyl-6-Phenylimidazo(4,5-b)Pyridine
CID 1530
Amdizalisib
CID 118981804
3-(2-Pyridyl)-5,6-diphenyl-1,2,4-triazine
CID 70588
Fazadinium Bromide
CID 6321422
6-Methyl-2-(4-methylphenyl)imidazo(1,2-a)pyridine
CID 667720
FK-739 free acid
CID 9801627
2,6-Diphenylimidazo[1,2-a]pyridine
CID 58880626
(R)-Zinc-3573
CID 95882507
US10399985, Example 8
CID 118278241
6-[(2r)-2-(3-Fluorophenyl)pyrrolidin-1-Yl]-3-(Pyridin-2-Yl)imidazo[1,2-B]pyridazine
CID 122179546
2-Methyl-7-(3-pyridinyl)pyrazolo[1,5-a]pyrimidine
CID 736074
7-Amino-2-phenylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
CID 2819025

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-diphenylimidazo[1,2-b]pyridazin-3-yl)acetonitrile?
The IUPAC name of 2-(6,7-diphenylimidazo[1,2-b]pyridazin-3-yl)acetonitrile (CID 141441388) is 2-(6,7-diphenylimidazo[1,2-b]pyridazin-3-yl)acetonitrile.
What is the SMILES notation for 2-(6,7-diphenylimidazo[1,2-b]pyridazin-3-yl)acetonitrile?
The canonical SMILES for 2-(6,7-diphenylimidazo[1,2-b]pyridazin-3-yl)acetonitrile is N#CCc1cnc2cc(-c3ccccc3)c(-c3ccccc3)nn12.
What is the InChIKey of 2-(6,7-diphenylimidazo[1,2-b]pyridazin-3-yl)acetonitrile?
The InChIKey is RTVILRRMQRSQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4/c21-12-11-17-14-22-19-13-18(15-7-3-1-4-8-15)20(23-24(17)19)16-9-5-2-6-10-16/h1-10,13-14H,11H2.
What are the key properties of 2-(6,7-diphenylimidazo[1,2-b]pyridazin-3-yl)acetonitrile?
2-(6,7-diphenylimidazo[1,2-b]pyridazin-3-yl)acetonitrile has a molecular weight of 310.36 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-diphenylimidazo[1,2-b]pyridazin-3-yl)acetonitrile is sourced from PubChem (CID 141441388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).