N-cyclooctyl-4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)butanamide

C18H27N5O2 — CID 56762085

IUPACN-cyclooctyl-4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)butanamide
SMILESCOc1ccc2nnc(CCCC(=O)NC3CCCCCCC3)n2n1
InChIInChI=1S/C18H27N5O2/c1-25-18-13-12-16-21-20-15(23(16)22-18)10-7-11-17(24)19-14-8-5-3-2-4-6-9-14/h12-14H,2-11H2,1H3,(H,19,24)
InChIKeyAWPUFSZFHWTDLB-UHFFFAOYSA-N
MW345.45 g/mol
LogP2.68
Rot. Bonds6

About N-cyclooctyl-4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)butanamide

N-cyclooctyl-4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)butanamide (PubChem CID 56762085) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is N-cyclooctyl-4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)butanamide.

Molecular Properties

Compound NameN-cyclooctyl-4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)butanamide
PubChem CID56762085
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC NameN-cyclooctyl-4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)butanamide
SMILESCOc1ccc2nnc(CCCC(=O)NC3CCCCCCC3)n2n1
InChIInChI=1S/C18H27N5O2/c1-25-18-13-12-16-21-20-15(23(16)22-18)10-7-11-17(24)19-14-8-5-3-2-4-6-9-14/h12-14H,2-11H2,1H3,(H,19,24)
InChIKeyAWPUFSZFHWTDLB-UHFFFAOYSA-N
XLogP2.68
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)butanamide?
The IUPAC name of N-cyclooctyl-4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)butanamide (CID 56762085) is N-cyclooctyl-4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)butanamide.
What is the SMILES notation for N-cyclooctyl-4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)butanamide?
The canonical SMILES for N-cyclooctyl-4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)butanamide is COc1ccc2nnc(CCCC(=O)NC3CCCCCCC3)n2n1.
What is the InChIKey of N-cyclooctyl-4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)butanamide?
The InChIKey is AWPUFSZFHWTDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-25-18-13-12-16-21-20-15(23(16)22-18)10-7-11-17(24)19-14-8-5-3-2-4-6-9-14/h12-14H,2-11H2,1H3,(H,19,24).
What are the key properties of N-cyclooctyl-4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)butanamide?
N-cyclooctyl-4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)butanamide has a molecular weight of 345.45 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)butanamide is sourced from PubChem (CID 56762085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).