6-[7-(ethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-[1,2,4]triazolo[4,3-b]pyridazine;2,2,2-trifluoroacetic acid

C16H18F3N7O3 — CID 155853941

IUPAC6-[7-(ethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-[1,2,4]triazolo[4,3-b]pyridazine;2,2,2-trifluoroacetic acid
SMILESCCOCC1CN(c2ccc3nncn3n2)Cc2ccnn21.O=C(O)C(F)(F)F
InChIInChI=1S/C14H17N7O.C2HF3O2/c1-2-22-9-12-8-19(7-11-5-6-16-21(11)12)14-4-3-13-17-15-10-20(13)18-14;3-2(4,5)1(6)7/h3-6,10,12H,2,7-9H2,1H3;(H,6,7)
InChIKeyHLMFRJZODFQLDU-UHFFFAOYSA-N
MW413.36 g/mol
LogP1.55
Rot. Bonds4

About 6-[7-(ethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-[1,2,4]triazolo[4,3-b]pyridazine;2,2,2-trifluoroacetic acid

6-[7-(ethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-[1,2,4]triazolo[4,3-b]pyridazine;2,2,2-trifluoroacetic acid (PubChem CID 155853941) has the molecular formula C16H18F3N7O3 and a molecular weight of 413.36 g/mol. Its IUPAC name is 6-[7-(ethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-[1,2,4]triazolo[4,3-b]pyridazine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name6-[7-(ethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-[1,2,4]triazolo[4,3-b]pyridazine;2,2,2-trifluoroacetic acid
PubChem CID155853941
Molecular FormulaC16H18F3N7O3
Molecular Weight413.36 g/mol
Exact Mass413.14
IUPAC Name6-[7-(ethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-[1,2,4]triazolo[4,3-b]pyridazine;2,2,2-trifluoroacetic acid
SMILESCCOCC1CN(c2ccc3nncn3n2)Cc2ccnn21.O=C(O)C(F)(F)F
InChIInChI=1S/C14H17N7O.C2HF3O2/c1-2-22-9-12-8-19(7-11-5-6-16-21(11)12)14-4-3-13-17-15-10-20(13)18-14;3-2(4,5)1(6)7/h3-6,10,12H,2,7-9H2,1H3;(H,6,7)
InChIKeyHLMFRJZODFQLDU-UHFFFAOYSA-N
XLogP1.55
TPSA110.67 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.36
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 6-[7-(ethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-[1,2,4]triazolo[4,3-b]pyridazine;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

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CID 133282026
1-(2,6-Dimethylmorpholin-4-yl)-2-[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]pyrazol-1-yl]ethanone
CID 133330300
Ethyl 2-[4-[[3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]pyrazol-1-yl]-2-methylpropanoate
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3-Methyl-6-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
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Methyl 2-[4-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]acetate
CID 133450833
5-(cyclopropylmethyl)-7-(pyrimidin-2-yloxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid
CID 155824218
7-Methoxy-5-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine;2,2,2-trifluoroacetic acid
CID 155826039
5-cyclobutyl-7-(pyrimidin-2-yloxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid
CID 155826886
7-[(1-methylpyrazol-4-yl)methyl]-5-[(4-methylpyrimidin-2-yl)oxymethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid
CID 155832068

Frequently Asked Questions

What is the IUPAC name of 6-[7-(ethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-[1,2,4]triazolo[4,3-b]pyridazine;2,2,2-trifluoroacetic acid?
The IUPAC name of 6-[7-(ethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-[1,2,4]triazolo[4,3-b]pyridazine;2,2,2-trifluoroacetic acid (CID 155853941) is 6-[7-(ethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-[1,2,4]triazolo[4,3-b]pyridazine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 6-[7-(ethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-[1,2,4]triazolo[4,3-b]pyridazine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 6-[7-(ethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-[1,2,4]triazolo[4,3-b]pyridazine;2,2,2-trifluoroacetic acid is CCOCC1CN(c2ccc3nncn3n2)Cc2ccnn21.O=C(O)C(F)(F)F.
What is the InChIKey of 6-[7-(ethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-[1,2,4]triazolo[4,3-b]pyridazine;2,2,2-trifluoroacetic acid?
The InChIKey is HLMFRJZODFQLDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N7O.C2HF3O2/c1-2-22-9-12-8-19(7-11-5-6-16-21(11)12)14-4-3-13-17-15-10-20(13)18-14;3-2(4,5)1(6)7/h3-6,10,12H,2,7-9H2,1H3;(H,6,7).
What are the key properties of 6-[7-(ethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-[1,2,4]triazolo[4,3-b]pyridazine;2,2,2-trifluoroacetic acid?
6-[7-(ethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-[1,2,4]triazolo[4,3-b]pyridazine;2,2,2-trifluoroacetic acid has a molecular weight of 413.36 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[7-(ethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-[1,2,4]triazolo[4,3-b]pyridazine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155853941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).