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

C17H19N5O2 — CID 56762555

IUPAC3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-(2-phenylethyl)propanamide
SMILESCOc1ccc2nnc(CCC(=O)NCCc3ccccc3)n2n1
InChIInChI=1S/C17H19N5O2/c1-24-17-10-8-15-20-19-14(22(15)21-17)7-9-16(23)18-12-11-13-5-3-2-4-6-13/h2-6,8,10H,7,9,11-12H2,1H3,(H,18,23)
InChIKeySZTVICCCUFYJKO-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.42
Rot. Bonds7

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

3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-(2-phenylethyl)propanamide (PubChem CID 56762555) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound Name3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-(2-phenylethyl)propanamide
PubChem CID56762555
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-(2-phenylethyl)propanamide
SMILESCOc1ccc2nnc(CCC(=O)NCCc3ccccc3)n2n1
InChIInChI=1S/C17H19N5O2/c1-24-17-10-8-15-20-19-14(22(15)21-17)7-9-16(23)18-12-11-13-5-3-2-4-6-13/h2-6,8,10H,7,9,11-12H2,1H3,(H,18,23)
InChIKeySZTVICCCUFYJKO-UHFFFAOYSA-N
XLogP1.42
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-(2-phenylethyl)propanamide?
The IUPAC name of 3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-(2-phenylethyl)propanamide (CID 56762555) is 3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-(2-phenylethyl)propanamide.
What is the SMILES notation for 3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-(2-phenylethyl)propanamide?
The canonical SMILES for 3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-(2-phenylethyl)propanamide is COc1ccc2nnc(CCC(=O)NCCc3ccccc3)n2n1.
What is the InChIKey of 3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-(2-phenylethyl)propanamide?
The InChIKey is SZTVICCCUFYJKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-24-17-10-8-15-20-19-14(22(15)21-17)7-9-16(23)18-12-11-13-5-3-2-4-6-13/h2-6,8,10H,7,9,11-12H2,1H3,(H,18,23).
What are the key properties of 3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-(2-phenylethyl)propanamide?
3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-(2-phenylethyl)propanamide has a molecular weight of 325.37 g/mol, XLogP of 1.42, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-(2-phenylethyl)propanamide is sourced from PubChem (CID 56762555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).