2-methoxy-N-[2-[5-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]acetamide

C16H20N8O2 — CID 131642252

IUPAC2-methoxy-N-[2-[5-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]acetamide
SMILESCOCC(=O)NCCC1CN(c2ccc3nncn3n2)Cc2ccnn21
InChIInChI=1S/C16H20N8O2/c1-26-10-16(25)17-6-4-12-8-22(9-13-5-7-19-24(12)13)15-3-2-14-20-18-11-23(14)21-15/h2-3,5,7,11-12H,4,6,8-10H2,1H3,(H,17,25)
InChIKeyFYKCWKCTKVRHFU-UHFFFAOYSA-N
MW356.39 g/mol
LogP0.03
Rot. Bonds6

About 2-methoxy-N-[2-[5-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]acetamide

2-methoxy-N-[2-[5-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]acetamide (PubChem CID 131642252) has the molecular formula C16H20N8O2 and a molecular weight of 356.39 g/mol. Its IUPAC name is 2-methoxy-N-[2-[5-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[2-[5-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]acetamide
PubChem CID131642252
Molecular FormulaC16H20N8O2
Molecular Weight356.39 g/mol
Exact Mass356.17
IUPAC Name2-methoxy-N-[2-[5-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]acetamide
SMILESCOCC(=O)NCCC1CN(c2ccc3nncn3n2)Cc2ccnn21
InChIInChI=1S/C16H20N8O2/c1-26-10-16(25)17-6-4-12-8-22(9-13-5-7-19-24(12)13)15-3-2-14-20-18-11-23(14)21-15/h2-3,5,7,11-12H,4,6,8-10H2,1H3,(H,17,25)
InChIKeyFYKCWKCTKVRHFU-UHFFFAOYSA-N
XLogP0.03
TPSA102.47 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-methoxy-N-[2-[5-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-[5-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]acetamide?
The IUPAC name of 2-methoxy-N-[2-[5-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]acetamide (CID 131642252) is 2-methoxy-N-[2-[5-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]acetamide.
What is the SMILES notation for 2-methoxy-N-[2-[5-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]acetamide?
The canonical SMILES for 2-methoxy-N-[2-[5-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]acetamide is COCC(=O)NCCC1CN(c2ccc3nncn3n2)Cc2ccnn21.
What is the InChIKey of 2-methoxy-N-[2-[5-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]acetamide?
The InChIKey is FYKCWKCTKVRHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N8O2/c1-26-10-16(25)17-6-4-12-8-22(9-13-5-7-19-24(12)13)15-3-2-14-20-18-11-23(14)21-15/h2-3,5,7,11-12H,4,6,8-10H2,1H3,(H,17,25).
What are the key properties of 2-methoxy-N-[2-[5-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]acetamide?
2-methoxy-N-[2-[5-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]acetamide has a molecular weight of 356.39 g/mol, XLogP of 0.03, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-[5-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]acetamide is sourced from PubChem (CID 131642252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).