N-(4-propan-2-ylcyclohexyl)-3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-amine

C19H24N4S — CID 175764391

IUPACN-(4-propan-2-ylcyclohexyl)-3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-amine
SMILESCC(C)C1CCC(Nc2ccc3ncc(-c4cccs4)n3n2)CC1
InChIInChI=1S/C19H24N4S/c1-13(2)14-5-7-15(8-6-14)21-18-9-10-19-20-12-16(23(19)22-18)17-4-3-11-24-17/h3-4,9-15H,5-8H2,1-2H3,(H,21,22)
InChIKeyFGZGTWFXNPXAGL-UHFFFAOYSA-N
MW340.50 g/mol
LogP5.08
Rot. Bonds4

About N-(4-propan-2-ylcyclohexyl)-3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-amine

N-(4-propan-2-ylcyclohexyl)-3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-amine (PubChem CID 175764391) has the molecular formula C19H24N4S and a molecular weight of 340.50 g/mol. Its IUPAC name is N-(4-propan-2-ylcyclohexyl)-3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-(4-propan-2-ylcyclohexyl)-3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-amine
PubChem CID175764391
Molecular FormulaC19H24N4S
Molecular Weight340.50 g/mol
Exact Mass340.17
IUPAC NameN-(4-propan-2-ylcyclohexyl)-3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-amine
SMILESCC(C)C1CCC(Nc2ccc3ncc(-c4cccs4)n3n2)CC1
InChIInChI=1S/C19H24N4S/c1-13(2)14-5-7-15(8-6-14)21-18-9-10-19-20-12-16(23(19)22-18)17-4-3-11-24-17/h3-4,9-15H,5-8H2,1-2H3,(H,21,22)
InChIKeyFGZGTWFXNPXAGL-UHFFFAOYSA-N
XLogP5.08
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.50
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-propan-2-ylcyclohexyl)-3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of N-(4-propan-2-ylcyclohexyl)-3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-amine (CID 175764391) is N-(4-propan-2-ylcyclohexyl)-3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for N-(4-propan-2-ylcyclohexyl)-3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for N-(4-propan-2-ylcyclohexyl)-3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-amine is CC(C)C1CCC(Nc2ccc3ncc(-c4cccs4)n3n2)CC1.
What is the InChIKey of N-(4-propan-2-ylcyclohexyl)-3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-amine?
The InChIKey is FGZGTWFXNPXAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4S/c1-13(2)14-5-7-15(8-6-14)21-18-9-10-19-20-12-16(23(19)22-18)17-4-3-11-24-17/h3-4,9-15H,5-8H2,1-2H3,(H,21,22).
What are the key properties of N-(4-propan-2-ylcyclohexyl)-3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-amine?
N-(4-propan-2-ylcyclohexyl)-3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-amine has a molecular weight of 340.50 g/mol, XLogP of 5.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propan-2-ylcyclohexyl)-3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 175764391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).