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

C17H25N5O2 — CID 56761604

IUPACN-cyclooctyl-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
SMILESCOc1ccc2nnc(CCC(=O)NC3CCCCCCC3)n2n1
InChIInChI=1S/C17H25N5O2/c1-24-17-12-10-15-20-19-14(22(15)21-17)9-11-16(23)18-13-7-5-3-2-4-6-8-13/h10,12-13H,2-9,11H2,1H3,(H,18,23)
InChIKeyLWTAYQCQKFGYHZ-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.29
Rot. Bonds5

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

N-cyclooctyl-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide (PubChem CID 56761604) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-cyclooctyl-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide.

Molecular Properties

Compound NameN-cyclooctyl-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
PubChem CID56761604
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC NameN-cyclooctyl-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
SMILESCOc1ccc2nnc(CCC(=O)NC3CCCCCCC3)n2n1
InChIInChI=1S/C17H25N5O2/c1-24-17-12-10-15-20-19-14(22(15)21-17)9-11-16(23)18-13-7-5-3-2-4-6-8-13/h10,12-13H,2-9,11H2,1H3,(H,18,23)
InChIKeyLWTAYQCQKFGYHZ-UHFFFAOYSA-N
XLogP2.29
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-(cyclohex-1-en-1-yl)ethyl)-4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)butanamide
CID 56763172
1-[(2S)-butan-2-yl]-3-[(6-ethoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]urea
CID 129417157
N-[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]acetamide
CID 172516780
3,3,3-trifluoro-N-((6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl)propanamide
CID 121181887
3-(6-Methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1-[7-(trifluoromethyl)-6-azaspiro[3.4]octan-6-yl]propan-1-one
CID 154847758
1-(3,3-Difluoro-1,5-diazonan-1-yl)-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-one
CID 166289170
N-cycloheptyl-4-(6-methoxy[1,2,4]triazolo[4,3-b]pyridazin-3-yl)butanamide
CID 56761406
3-(6-Methoxy[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1-(morpholin-4-yl)propan-1-one
CID 56761876
N-cyclooctyl-4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)butanamide
CID 56762085
N-cycloheptyl-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
CID 56762203
N-cyclohexyl-3-(6-methoxy[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
CID 56762213
3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-phenethylpropanamide
CID 56762555

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide?
The IUPAC name of N-cyclooctyl-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide (CID 56761604) is N-cyclooctyl-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide.
What is the SMILES notation for N-cyclooctyl-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide?
The canonical SMILES for N-cyclooctyl-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide is COc1ccc2nnc(CCC(=O)NC3CCCCCCC3)n2n1.
What is the InChIKey of N-cyclooctyl-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide?
The InChIKey is LWTAYQCQKFGYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-24-17-12-10-15-20-19-14(22(15)21-17)9-11-16(23)18-13-7-5-3-2-4-6-8-13/h10,12-13H,2-9,11H2,1H3,(H,18,23).
What are the key properties of N-cyclooctyl-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide?
N-cyclooctyl-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide has a molecular weight of 331.42 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide is sourced from PubChem (CID 56761604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).