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

C16H17N5O2 — CID 56761800

IUPACN-benzyl-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
SMILESCOc1ccc2nnc(CCC(=O)NCc3ccccc3)n2n1
InChIInChI=1S/C16H17N5O2/c1-23-16-10-8-14-19-18-13(21(14)20-16)7-9-15(22)17-11-12-5-3-2-4-6-12/h2-6,8,10H,7,9,11H2,1H3,(H,17,22)
InChIKeyCKVLBXWMIXUJHQ-UHFFFAOYSA-N
MW311.35 g/mol
LogP1.38
Rot. Bonds6

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

N-benzyl-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide (PubChem CID 56761800) has the molecular formula C16H17N5O2 and a molecular weight of 311.35 g/mol. Its IUPAC name is N-benzyl-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide.

Molecular Properties

Compound NameN-benzyl-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
PubChem CID56761800
Molecular FormulaC16H17N5O2
Molecular Weight311.35 g/mol
Exact Mass311.14
IUPAC NameN-benzyl-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
SMILESCOc1ccc2nnc(CCC(=O)NCc3ccccc3)n2n1
InChIInChI=1S/C16H17N5O2/c1-23-16-10-8-14-19-18-13(21(14)20-16)7-9-15(22)17-11-12-5-3-2-4-6-12/h2-6,8,10H,7,9,11H2,1H3,(H,17,22)
InChIKeyCKVLBXWMIXUJHQ-UHFFFAOYSA-N
XLogP1.38
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide?
The IUPAC name of N-benzyl-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide (CID 56761800) is N-benzyl-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide.
What is the SMILES notation for N-benzyl-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide?
The canonical SMILES for N-benzyl-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide is COc1ccc2nnc(CCC(=O)NCc3ccccc3)n2n1.
What is the InChIKey of N-benzyl-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide?
The InChIKey is CKVLBXWMIXUJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c1-23-16-10-8-14-19-18-13(21(14)20-16)7-9-15(22)17-11-12-5-3-2-4-6-12/h2-6,8,10H,7,9,11H2,1H3,(H,17,22).
What are the key properties of N-benzyl-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide?
N-benzyl-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide has a molecular weight of 311.35 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide is sourced from PubChem (CID 56761800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).