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

C17H25N5O2 — CID 56761406

IUPACN-cycloheptyl-4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)butanamide
SMILESCOc1ccc2nnc(CCCC(=O)NC3CCCCCC3)n2n1
InChIInChI=1S/C17H25N5O2/c1-24-17-12-11-15-20-19-14(22(15)21-17)9-6-10-16(23)18-13-7-4-2-3-5-8-13/h11-13H,2-10H2,1H3,(H,18,23)
InChIKeyFSIWAIHUZDSUEK-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.29
Rot. Bonds6

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

N-cycloheptyl-4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)butanamide (PubChem CID 56761406) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-cycloheptyl-4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)butanamide.

Molecular Properties

Compound NameN-cycloheptyl-4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)butanamide
PubChem CID56761406
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC NameN-cycloheptyl-4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)butanamide
SMILESCOc1ccc2nnc(CCCC(=O)NC3CCCCCC3)n2n1
InChIInChI=1S/C17H25N5O2/c1-24-17-12-11-15-20-19-14(22(15)21-17)9-6-10-16(23)18-13-7-4-2-3-5-8-13/h11-13H,2-10H2,1H3,(H,18,23)
InChIKeyFSIWAIHUZDSUEK-UHFFFAOYSA-N
XLogP2.29
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
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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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)butanamide?
The IUPAC name of N-cycloheptyl-4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)butanamide (CID 56761406) is N-cycloheptyl-4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)butanamide.
What is the SMILES notation for N-cycloheptyl-4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)butanamide?
The canonical SMILES for N-cycloheptyl-4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)butanamide is COc1ccc2nnc(CCCC(=O)NC3CCCCCC3)n2n1.
What is the InChIKey of N-cycloheptyl-4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)butanamide?
The InChIKey is FSIWAIHUZDSUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-24-17-12-11-15-20-19-14(22(15)21-17)9-6-10-16(23)18-13-7-4-2-3-5-8-13/h11-13H,2-10H2,1H3,(H,18,23).
What are the key properties of N-cycloheptyl-4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)butanamide?
N-cycloheptyl-4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)butanamide has a molecular weight of 331.42 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)butanamide is sourced from PubChem (CID 56761406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).