N-(2-methoxyethyl)-5-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid

C17H19F3N8O4 — CID 155860445

IUPACN-(2-methoxyethyl)-5-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid
SMILESCOCCNC(=O)C1CN(c2ccc3nncn3n2)Cc2ccnn21.O=C(O)C(F)(F)F
InChIInChI=1S/C15H18N8O2.C2HF3O2/c1-25-7-6-16-15(24)12-9-21(8-11-4-5-18-23(11)12)14-3-2-13-19-17-10-22(13)20-14;3-2(4,5)1(6)7/h2-5,10,12H,6-9H2,1H3,(H,16,24);(H,6,7)
InChIKeyNEPKGVPTHFJIFQ-UHFFFAOYSA-N
MW456.39 g/mol
LogP0.28
Rot. Bonds5

About N-(2-methoxyethyl)-5-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid

N-(2-methoxyethyl)-5-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155860445) has the molecular formula C17H19F3N8O4 and a molecular weight of 456.39 g/mol. Its IUPAC name is N-(2-methoxyethyl)-5-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-(2-methoxyethyl)-5-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID155860445
Molecular FormulaC17H19F3N8O4
Molecular Weight456.39 g/mol
Exact Mass456.15
IUPAC NameN-(2-methoxyethyl)-5-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid
SMILESCOCCNC(=O)C1CN(c2ccc3nncn3n2)Cc2ccnn21.O=C(O)C(F)(F)F
InChIInChI=1S/C15H18N8O2.C2HF3O2/c1-25-7-6-16-15(24)12-9-21(8-11-4-5-18-23(11)12)14-3-2-13-19-17-10-22(13)20-14;3-2(4,5)1(6)7/h2-5,10,12H,6-9H2,1H3,(H,16,24);(H,6,7)
InChIKeyNEPKGVPTHFJIFQ-UHFFFAOYSA-N
XLogP0.28
TPSA139.77 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.39
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(2-methoxyethyl)-5-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

1,2-oxazolidin-2-yl-[5-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methanone;2,2,2-trifluoroacetic acid
CID 155844996
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
5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(2-methoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid
CID 155826204
N-(2-methoxyethyl)-5-(3-methyl-1-benzofuran-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide
CID 131693135
2-(2-methoxyethyl)-4-(methoxymethyl)-8-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2,8-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 155850642
N-[[5-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]cyclopropanesulfonamide
CID 131642269
5-(1H-indole-2-carbonyl)-N-(2-methoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide
CID 131693001
(3S)-N-(3-ethoxypropyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-3-carboxamide
CID 92889475
5-(1H-indol-4-ylmethyl)-N-(2-methoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide
CID 133141807
1,2-oxazolidin-2-yl-[7-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methanone
CID 131641510
5-cyclobutyl-7-(2-methoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid
CID 155826068
5-(3-methylbutanoyl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid
CID 155860095

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-5-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-(2-methoxyethyl)-5-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid (CID 155860445) is N-(2-methoxyethyl)-5-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-(2-methoxyethyl)-5-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-(2-methoxyethyl)-5-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid is COCCNC(=O)C1CN(c2ccc3nncn3n2)Cc2ccnn21.O=C(O)C(F)(F)F.
What is the InChIKey of N-(2-methoxyethyl)-5-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is NEPKGVPTHFJIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N8O2.C2HF3O2/c1-25-7-6-16-15(24)12-9-21(8-11-4-5-18-23(11)12)14-3-2-13-19-17-10-22(13)20-14;3-2(4,5)1(6)7/h2-5,10,12H,6-9H2,1H3,(H,16,24);(H,6,7).
What are the key properties of N-(2-methoxyethyl)-5-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid?
N-(2-methoxyethyl)-5-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 456.39 g/mol, XLogP of 0.28, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-5-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155860445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).