4-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]benzonitrile

C17H15N5 — CID 44580273

IUPAC4-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]benzonitrile
SMILESN#Cc1ccc(-c2cnc3ccc(NCC4CC4)nn23)cc1
InChIInChI=1S/C17H15N5/c18-9-12-3-5-14(6-4-12)15-11-20-17-8-7-16(21-22(15)17)19-10-13-1-2-13/h3-8,11,13H,1-2,10H2,(H,19,21)
InChIKeyZECHSASRXYGVKD-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.09
Rot. Bonds4

About 4-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]benzonitrile

4-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]benzonitrile (PubChem CID 44580273) has the molecular formula C17H15N5 and a molecular weight of 289.34 g/mol. Its IUPAC name is 4-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]benzonitrile.

Molecular Properties

Compound Name4-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]benzonitrile
PubChem CID44580273
Molecular FormulaC17H15N5
Molecular Weight289.34 g/mol
Exact Mass289.13
IUPAC Name4-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]benzonitrile
SMILESN#Cc1ccc(-c2cnc3ccc(NCC4CC4)nn23)cc1
InChIInChI=1S/C17H15N5/c18-9-12-3-5-14(6-4-12)15-11-20-17-8-7-16(21-22(15)17)19-10-13-1-2-13/h3-8,11,13H,1-2,10H2,(H,19,21)
InChIKeyZECHSASRXYGVKD-UHFFFAOYSA-N
XLogP3.09
TPSA66.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]benzonitrile?
The IUPAC name of 4-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]benzonitrile (CID 44580273) is 4-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]benzonitrile.
What is the SMILES notation for 4-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]benzonitrile?
The canonical SMILES for 4-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]benzonitrile is N#Cc1ccc(-c2cnc3ccc(NCC4CC4)nn23)cc1.
What is the InChIKey of 4-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]benzonitrile?
The InChIKey is ZECHSASRXYGVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5/c18-9-12-3-5-14(6-4-12)15-11-20-17-8-7-16(21-22(15)17)19-10-13-1-2-13/h3-8,11,13H,1-2,10H2,(H,19,21).
What are the key properties of 4-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]benzonitrile?
4-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]benzonitrile has a molecular weight of 289.34 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]benzonitrile is sourced from PubChem (CID 44580273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).