6-[(3,4-dichlorophenyl)methylamino]imidazo[1,2-b]pyridazine-3-carbonitrile

C14H9Cl2N5 — CID 66940761

IUPAC6-[(3,4-dichlorophenyl)methylamino]imidazo[1,2-b]pyridazine-3-carbonitrile
SMILESN#Cc1cnc2ccc(NCc3ccc(Cl)c(Cl)c3)nn12
InChIInChI=1S/C14H9Cl2N5/c15-11-2-1-9(5-12(11)16)7-18-13-3-4-14-19-8-10(6-17)21(14)20-13/h1-5,8H,7H2,(H,18,20)
InChIKeyRYIYZEFXQIJQKS-UHFFFAOYSA-N
MW318.17 g/mol
LogP3.52
Rot. Bonds3

About 6-[(3,4-dichlorophenyl)methylamino]imidazo[1,2-b]pyridazine-3-carbonitrile

6-[(3,4-dichlorophenyl)methylamino]imidazo[1,2-b]pyridazine-3-carbonitrile (PubChem CID 66940761) has the molecular formula C14H9Cl2N5 and a molecular weight of 318.17 g/mol. Its IUPAC name is 6-[(3,4-dichlorophenyl)methylamino]imidazo[1,2-b]pyridazine-3-carbonitrile.

Molecular Properties

Compound Name6-[(3,4-dichlorophenyl)methylamino]imidazo[1,2-b]pyridazine-3-carbonitrile
PubChem CID66940761
Molecular FormulaC14H9Cl2N5
Molecular Weight318.17 g/mol
Exact Mass317.02
IUPAC Name6-[(3,4-dichlorophenyl)methylamino]imidazo[1,2-b]pyridazine-3-carbonitrile
SMILESN#Cc1cnc2ccc(NCc3ccc(Cl)c(Cl)c3)nn12
InChIInChI=1S/C14H9Cl2N5/c15-11-2-1-9(5-12(11)16)7-18-13-3-4-14-19-8-10(6-17)21(14)20-13/h1-5,8H,7H2,(H,18,20)
InChIKeyRYIYZEFXQIJQKS-UHFFFAOYSA-N
XLogP3.52
TPSA66.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.17
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(3,4-dichlorophenyl)methylamino]imidazo[1,2-b]pyridazine-3-carbonitrile?
The IUPAC name of 6-[(3,4-dichlorophenyl)methylamino]imidazo[1,2-b]pyridazine-3-carbonitrile (CID 66940761) is 6-[(3,4-dichlorophenyl)methylamino]imidazo[1,2-b]pyridazine-3-carbonitrile.
What is the SMILES notation for 6-[(3,4-dichlorophenyl)methylamino]imidazo[1,2-b]pyridazine-3-carbonitrile?
The canonical SMILES for 6-[(3,4-dichlorophenyl)methylamino]imidazo[1,2-b]pyridazine-3-carbonitrile is N#Cc1cnc2ccc(NCc3ccc(Cl)c(Cl)c3)nn12.
What is the InChIKey of 6-[(3,4-dichlorophenyl)methylamino]imidazo[1,2-b]pyridazine-3-carbonitrile?
The InChIKey is RYIYZEFXQIJQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2N5/c15-11-2-1-9(5-12(11)16)7-18-13-3-4-14-19-8-10(6-17)21(14)20-13/h1-5,8H,7H2,(H,18,20).
What are the key properties of 6-[(3,4-dichlorophenyl)methylamino]imidazo[1,2-b]pyridazine-3-carbonitrile?
6-[(3,4-dichlorophenyl)methylamino]imidazo[1,2-b]pyridazine-3-carbonitrile has a molecular weight of 318.17 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3,4-dichlorophenyl)methylamino]imidazo[1,2-b]pyridazine-3-carbonitrile is sourced from PubChem (CID 66940761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).