3-pyridin-4-yl-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine

C16H13N5S — CID 24995753

IUPAC3-pyridin-4-yl-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
SMILESc1csc(CNc2ccc3ncc(-c4ccncc4)n3n2)c1
InChIInChI=1S/C16H13N5S/c1-2-13(22-9-1)10-18-15-3-4-16-19-11-14(21(16)20-15)12-5-7-17-8-6-12/h1-9,11H,10H2,(H,18,20)
InChIKeyCQUAUNWOFJBUMF-UHFFFAOYSA-N
MW307.38 g/mol
LogP3.46
Rot. Bonds4

About 3-pyridin-4-yl-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine

3-pyridin-4-yl-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine (PubChem CID 24995753) has the molecular formula C16H13N5S and a molecular weight of 307.38 g/mol. Its IUPAC name is 3-pyridin-4-yl-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-pyridin-4-yl-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
PubChem CID24995753
Molecular FormulaC16H13N5S
Molecular Weight307.38 g/mol
Exact Mass307.09
IUPAC Name3-pyridin-4-yl-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
SMILESc1csc(CNc2ccc3ncc(-c4ccncc4)n3n2)c1
InChIInChI=1S/C16H13N5S/c1-2-13(22-9-1)10-18-15-3-4-16-19-11-14(21(16)20-15)12-5-7-17-8-6-12/h1-9,11H,10H2,(H,18,20)
InChIKeyCQUAUNWOFJBUMF-UHFFFAOYSA-N
XLogP3.46
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-pyridin-4-yl-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of 3-pyridin-4-yl-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine (CID 24995753) is 3-pyridin-4-yl-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for 3-pyridin-4-yl-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for 3-pyridin-4-yl-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine is c1csc(CNc2ccc3ncc(-c4ccncc4)n3n2)c1.
What is the InChIKey of 3-pyridin-4-yl-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is CQUAUNWOFJBUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5S/c1-2-13(22-9-1)10-18-15-3-4-16-19-11-14(21(16)20-15)12-5-7-17-8-6-12/h1-9,11H,10H2,(H,18,20).
What are the key properties of 3-pyridin-4-yl-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine?
3-pyridin-4-yl-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 307.38 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-4-yl-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 24995753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).