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

C19H19N5O — CID 66598157

IUPAC3-[6-[(4-hydroxycyclohexyl)amino]imidazo[1,2-b]pyridazin-3-yl]benzonitrile
SMILESN#Cc1cccc(-c2cnc3ccc(NC4CCC(O)CC4)nn23)c1
InChIInChI=1S/C19H19N5O/c20-11-13-2-1-3-14(10-13)17-12-21-19-9-8-18(23-24(17)19)22-15-4-6-16(25)7-5-15/h1-3,8-10,12,15-16,25H,4-7H2,(H,22,23)
InChIKeyIBHLLTLKJDOFNT-UHFFFAOYSA-N
MW333.40 g/mol
LogP2.98
Rot. Bonds3

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

3-[6-[(4-hydroxycyclohexyl)amino]imidazo[1,2-b]pyridazin-3-yl]benzonitrile (PubChem CID 66598157) has the molecular formula C19H19N5O and a molecular weight of 333.40 g/mol. Its IUPAC name is 3-[6-[(4-hydroxycyclohexyl)amino]imidazo[1,2-b]pyridazin-3-yl]benzonitrile.

Molecular Properties

Compound Name3-[6-[(4-hydroxycyclohexyl)amino]imidazo[1,2-b]pyridazin-3-yl]benzonitrile
PubChem CID66598157
Molecular FormulaC19H19N5O
Molecular Weight333.40 g/mol
Exact Mass333.16
IUPAC Name3-[6-[(4-hydroxycyclohexyl)amino]imidazo[1,2-b]pyridazin-3-yl]benzonitrile
SMILESN#Cc1cccc(-c2cnc3ccc(NC4CCC(O)CC4)nn23)c1
InChIInChI=1S/C19H19N5O/c20-11-13-2-1-3-14(10-13)17-12-21-19-9-8-18(23-24(17)19)22-15-4-6-16(25)7-5-15/h1-3,8-10,12,15-16,25H,4-7H2,(H,22,23)
InChIKeyIBHLLTLKJDOFNT-UHFFFAOYSA-N
XLogP2.98
TPSA86.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[(4-hydroxycyclohexyl)amino]imidazo[1,2-b]pyridazin-3-yl]benzonitrile?
The IUPAC name of 3-[6-[(4-hydroxycyclohexyl)amino]imidazo[1,2-b]pyridazin-3-yl]benzonitrile (CID 66598157) is 3-[6-[(4-hydroxycyclohexyl)amino]imidazo[1,2-b]pyridazin-3-yl]benzonitrile.
What is the SMILES notation for 3-[6-[(4-hydroxycyclohexyl)amino]imidazo[1,2-b]pyridazin-3-yl]benzonitrile?
The canonical SMILES for 3-[6-[(4-hydroxycyclohexyl)amino]imidazo[1,2-b]pyridazin-3-yl]benzonitrile is N#Cc1cccc(-c2cnc3ccc(NC4CCC(O)CC4)nn23)c1.
What is the InChIKey of 3-[6-[(4-hydroxycyclohexyl)amino]imidazo[1,2-b]pyridazin-3-yl]benzonitrile?
The InChIKey is IBHLLTLKJDOFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c20-11-13-2-1-3-14(10-13)17-12-21-19-9-8-18(23-24(17)19)22-15-4-6-16(25)7-5-15/h1-3,8-10,12,15-16,25H,4-7H2,(H,22,23).
What are the key properties of 3-[6-[(4-hydroxycyclohexyl)amino]imidazo[1,2-b]pyridazin-3-yl]benzonitrile?
3-[6-[(4-hydroxycyclohexyl)amino]imidazo[1,2-b]pyridazin-3-yl]benzonitrile has a molecular weight of 333.40 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[(4-hydroxycyclohexyl)amino]imidazo[1,2-b]pyridazin-3-yl]benzonitrile is sourced from PubChem (CID 66598157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).