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

C15H16N6O2 — CID 56761755

IUPAC4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-pyridin-3-ylbutanamide
SMILESCOc1ccc2nnc(CCCC(=O)Nc3cccnc3)n2n1
InChIInChI=1S/C15H16N6O2/c1-23-15-8-7-13-19-18-12(21(13)20-15)5-2-6-14(22)17-11-4-3-9-16-10-11/h3-4,7-10H,2,5-6H2,1H3,(H,17,22)
InChIKeyOROQNIUUMIYKRM-UHFFFAOYSA-N
MW312.33 g/mol
LogP1.49
Rot. Bonds6

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

4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-pyridin-3-ylbutanamide (PubChem CID 56761755) has the molecular formula C15H16N6O2 and a molecular weight of 312.33 g/mol. Its IUPAC name is 4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-pyridin-3-ylbutanamide.

Molecular Properties

Compound Name4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-pyridin-3-ylbutanamide
PubChem CID56761755
Molecular FormulaC15H16N6O2
Molecular Weight312.33 g/mol
Exact Mass312.13
IUPAC Name4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-pyridin-3-ylbutanamide
SMILESCOc1ccc2nnc(CCCC(=O)Nc3cccnc3)n2n1
InChIInChI=1S/C15H16N6O2/c1-23-15-8-7-13-19-18-12(21(13)20-15)5-2-6-14(22)17-11-4-3-9-16-10-11/h3-4,7-10H,2,5-6H2,1H3,(H,17,22)
InChIKeyOROQNIUUMIYKRM-UHFFFAOYSA-N
XLogP1.49
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-phenylbutanamide
CID 56761236
3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-pyridin-3-ylpropanamide
CID 20903918
N-(1,3-benzothiazol-2-yl)-4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)butanamide
CID 56761613
N-(4-methoxyphenyl)-3-[6-(pyridin-3-ylmethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide
CID 20957149
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-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
CID 124847077
4-(1-methyltetrazol-5-yl)sulfanyl-N-pyridin-3-ylbutanamide
CID 13203384
N-(6-methoxy-3-pyridinyl)-4-phenylbutanamide
CID 52615794
N-(6-methoxy-3-pyridinyl)-4-oxo-4-pyridin-3-ylbutanamide
CID 110620858
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
(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
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

Frequently Asked Questions

What is the IUPAC name of 4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-pyridin-3-ylbutanamide?
The IUPAC name of 4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-pyridin-3-ylbutanamide (CID 56761755) is 4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-pyridin-3-ylbutanamide.
What is the SMILES notation for 4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-pyridin-3-ylbutanamide?
The canonical SMILES for 4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-pyridin-3-ylbutanamide is COc1ccc2nnc(CCCC(=O)Nc3cccnc3)n2n1.
What is the InChIKey of 4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-pyridin-3-ylbutanamide?
The InChIKey is OROQNIUUMIYKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O2/c1-23-15-8-7-13-19-18-12(21(13)20-15)5-2-6-14(22)17-11-4-3-9-16-10-11/h3-4,7-10H,2,5-6H2,1H3,(H,17,22).
What are the key properties of 4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-pyridin-3-ylbutanamide?
4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-pyridin-3-ylbutanamide has a molecular weight of 312.33 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 7 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-pyridin-3-ylbutanamide is sourced from PubChem (CID 56761755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).