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

C17H17F3N8O4 — CID 155844996

IUPAC1,2-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
SMILESO=C(C1CN(c2ccc3nncn3n2)Cc2ccnn21)N1CCCO1.O=C(O)C(F)(F)F
InChIInChI=1S/C15H16N8O2.C2HF3O2/c24-15(22-6-1-7-25-22)12-9-20(8-11-4-5-17-23(11)12)14-3-2-13-18-16-10-21(13)19-14;3-2(4,5)1(6)7/h2-5,10,12H,1,6-9H2;(H,6,7)
InChIKeyCHUOLBDQGBTEAE-UHFFFAOYSA-N
MW454.37 g/mol
LogP0.68
Rot. Bonds2

About 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

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 (PubChem CID 155844996) has the molecular formula C17H17F3N8O4 and a molecular weight of 454.37 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1,2-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
PubChem CID155844996
Molecular FormulaC17H17F3N8O4
Molecular Weight454.37 g/mol
Exact Mass454.13
IUPAC Name1,2-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
SMILESO=C(C1CN(c2ccc3nncn3n2)Cc2ccnn21)N1CCCO1.O=C(O)C(F)(F)F
InChIInChI=1S/C15H16N8O2.C2HF3O2/c24-15(22-6-1-7-25-22)12-9-20(8-11-4-5-17-23(11)12)14-3-2-13-18-16-10-21(13)19-14;3-2(4,5)1(6)7/h2-5,10,12H,1,6-9H2;(H,6,7)
InChIKeyCHUOLBDQGBTEAE-UHFFFAOYSA-N
XLogP0.68
TPSA130.98 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.37
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Related Compounds

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
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
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
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
pyrrolidin-1-yl-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)morpholin-2-yl]methanone
CID 155800406
[(7S)-5-[(3-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-(oxazinan-2-yl)methanone
CID 124912480
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
8-pyridin-2-yloxy-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5-oxa-2-azaspiro[3.5]nonane;bis(2,2,2-trifluoroacetic acid)
CID 155830645
8-[2-(pyridin-4-ylmethoxy)ethyl]-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5-oxa-2-azaspiro[3.4]octane;bis(2,2,2-trifluoroacetic acid)
CID 155854664
6-[8-(cyclopropylmethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-[1,2,4]triazolo[4,3-b]pyridazine;bis(2,2,2-trifluoroacetic acid)
CID 155847055
N-(1H-indol-7-ylmethyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-amine;2,2,2-trifluoroacetic acid
CID 166245935
5-(6-methoxypyrimidin-4-yl)-N-(oxan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid
CID 155864316

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C(C1CN(c2ccc3nncn3n2)Cc2ccnn21)N1CCCO1.O=C(O)C(F)(F)F.
What is the InChIKey of 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?
The InChIKey is CHUOLBDQGBTEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N8O2.C2HF3O2/c24-15(22-6-1-7-25-22)12-9-20(8-11-4-5-17-23(11)12)14-3-2-13-18-16-10-21(13)19-14;3-2(4,5)1(6)7/h2-5,10,12H,1,6-9H2;(H,6,7).
What are the key properties of 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?
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 has a molecular weight of 454.37 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 155844996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).