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

C16H23N5O2 — CID 56762203

IUPACN-cycloheptyl-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
SMILESCOc1ccc2nnc(CCC(=O)NC3CCCCCC3)n2n1
InChIInChI=1S/C16H23N5O2/c1-23-16-11-9-14-19-18-13(21(14)20-16)8-10-15(22)17-12-6-4-2-3-5-7-12/h9,11-12H,2-8,10H2,1H3,(H,17,22)
InChIKeyQSWLEQZAEAZWTH-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.90
Rot. Bonds5

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

N-cycloheptyl-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide (PubChem CID 56762203) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-cycloheptyl-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide.

Molecular Properties

Compound NameN-cycloheptyl-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
PubChem CID56762203
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC NameN-cycloheptyl-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
SMILESCOc1ccc2nnc(CCC(=O)NC3CCCCCC3)n2n1
InChIInChI=1S/C16H23N5O2/c1-23-16-11-9-14-19-18-13(21(14)20-16)8-10-15(22)17-12-6-4-2-3-5-7-12/h9,11-12H,2-8,10H2,1H3,(H,17,22)
InChIKeyQSWLEQZAEAZWTH-UHFFFAOYSA-N
XLogP1.90
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.90
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
4,4,4-Trifluoro-1-(4-{6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl}piperidin-1-yl)butan-1-one
CID 145883592
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
N-cyclooctyl-3-(6-methoxy[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
CID 56761604
N-benzyl-3-(6-methoxy[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
CID 56761800
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

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide?
The IUPAC name of N-cycloheptyl-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide (CID 56762203) is N-cycloheptyl-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide.
What is the SMILES notation for N-cycloheptyl-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide?
The canonical SMILES for N-cycloheptyl-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide is COc1ccc2nnc(CCC(=O)NC3CCCCCC3)n2n1.
What is the InChIKey of N-cycloheptyl-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide?
The InChIKey is QSWLEQZAEAZWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-23-16-11-9-14-19-18-13(21(14)20-16)8-10-15(22)17-12-6-4-2-3-5-7-12/h9,11-12H,2-8,10H2,1H3,(H,17,22).
What are the key properties of N-cycloheptyl-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide?
N-cycloheptyl-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide has a molecular weight of 317.39 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide is sourced from PubChem (CID 56762203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).