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

C16H17N5O2 — CID 56761236

IUPAC4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-phenylbutanamide
SMILESCOc1ccc2nnc(CCCC(=O)Nc3ccccc3)n2n1
InChIInChI=1S/C16H17N5O2/c1-23-16-11-10-14-19-18-13(21(14)20-16)8-5-9-15(22)17-12-6-3-2-4-7-12/h2-4,6-7,10-11H,5,8-9H2,1H3,(H,17,22)
InChIKeySVIXGNDPGYAVHS-UHFFFAOYSA-N
MW311.35 g/mol
LogP2.09
Rot. Bonds6

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

4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-phenylbutanamide (PubChem CID 56761236) has the molecular formula C16H17N5O2 and a molecular weight of 311.35 g/mol. Its IUPAC name is 4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-phenylbutanamide.

Molecular Properties

Compound Name4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-phenylbutanamide
PubChem CID56761236
Molecular FormulaC16H17N5O2
Molecular Weight311.35 g/mol
Exact Mass311.14
IUPAC Name4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-phenylbutanamide
SMILESCOc1ccc2nnc(CCCC(=O)Nc3ccccc3)n2n1
InChIInChI=1S/C16H17N5O2/c1-23-16-11-10-14-19-18-13(21(14)20-16)8-5-9-15(22)17-12-6-3-2-4-7-12/h2-4,6-7,10-11H,5,8-9H2,1H3,(H,17,22)
InChIKeySVIXGNDPGYAVHS-UHFFFAOYSA-N
XLogP2.09
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 ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-phenylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-pyridin-3-ylbutanamide
CID 56761755
N-(1,3-benzothiazol-2-yl)-4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)butanamide
CID 56761613
4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]butanamide
CID 71703618
N-(2,5-dimethoxyphenyl)-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
CID 56761580
N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
CID 124847077
3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propan-1-one
CID 91970342
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
CID 96557614
N-(6-methoxy-3-pyridinyl)-4-phenylbutanamide
CID 52615794
4-(4-methoxyphenyl)-N-phenylbutanamide
CID 48980411
3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 56761905
N-(4-methoxyphenyl)-3-[6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide
CID 20903850
(1S,9R)-11-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)butanoyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 75464732

Frequently Asked Questions

What is the IUPAC name of 4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-phenylbutanamide?
The IUPAC name of 4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-phenylbutanamide (CID 56761236) is 4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-phenylbutanamide.
What is the SMILES notation for 4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-phenylbutanamide?
The canonical SMILES for 4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-phenylbutanamide is COc1ccc2nnc(CCCC(=O)Nc3ccccc3)n2n1.
What is the InChIKey of 4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-phenylbutanamide?
The InChIKey is SVIXGNDPGYAVHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c1-23-16-11-10-14-19-18-13(21(14)20-16)8-5-9-15(22)17-12-6-3-2-4-7-12/h2-4,6-7,10-11H,5,8-9H2,1H3,(H,17,22).
What are the key properties of 4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-phenylbutanamide?
4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-phenylbutanamide has a molecular weight of 311.35 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-phenylbutanamide is sourced from PubChem (CID 56761236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).