N-[6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide

C16H13N7OS — CID 46174983

IUPACN-[6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1cn2nc(Sc3nnc4ccccn34)ccc2n1)C1CC1
InChIInChI=1S/C16H13N7OS/c24-15(10-4-5-10)18-11-9-23-12(17-11)6-7-14(21-23)25-16-20-19-13-3-1-2-8-22(13)16/h1-3,6-10H,4-5H2,(H,18,24)
InChIKeyALNWINGRKKGNMD-UHFFFAOYSA-N
MW351.40 g/mol
LogP2.27
Rot. Bonds4

About N-[6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide

N-[6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide (PubChem CID 46174983) has the molecular formula C16H13N7OS and a molecular weight of 351.40 g/mol. Its IUPAC name is N-[6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
PubChem CID46174983
Molecular FormulaC16H13N7OS
Molecular Weight351.40 g/mol
Exact Mass351.09
IUPAC NameN-[6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1cn2nc(Sc3nnc4ccccn34)ccc2n1)C1CC1
InChIInChI=1S/C16H13N7OS/c24-15(10-4-5-10)18-11-9-23-12(17-11)6-7-14(21-23)25-16-20-19-13-3-1-2-8-22(13)16/h1-3,6-10H,4-5H2,(H,18,24)
InChIKeyALNWINGRKKGNMD-UHFFFAOYSA-N
XLogP2.27
TPSA89.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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CID 53203052
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CID 44124633
CID 44124633
CID 59175264
CID 59175264
CID 59233064
CID 59233064
CID 59233101
CID 59233101
CID 59233176
CID 59233176
CID 59233188
CID 59233188
CID 59233194
CID 59233194
CID 59233220
CID 59233220

Frequently Asked Questions

What is the IUPAC name of N-[6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide (CID 46174983) is N-[6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide is O=C(Nc1cn2nc(Sc3nnc4ccccn34)ccc2n1)C1CC1.
What is the InChIKey of N-[6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?
The InChIKey is ALNWINGRKKGNMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N7OS/c24-15(10-4-5-10)18-11-9-23-12(17-11)6-7-14(21-23)25-16-20-19-13-3-1-2-8-22(13)16/h1-3,6-10H,4-5H2,(H,18,24).
What are the key properties of N-[6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?
N-[6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide has a molecular weight of 351.40 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 46174983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).