[3-[[6-(2,4-dioxo-1,3-diazinan-5-yl)-[1,2,4]triazolo[1,5-b]pyridazin-8-yl]oxy]-2,2-difluoropropyl] N-propan-2-ylcarbamate

C16H19F2N7O5 — CID 171368660

IUPAC[3-[[6-(2,4-dioxo-1,3-diazinan-5-yl)-[1,2,4]triazolo[1,5-b]pyridazin-8-yl]oxy]-2,2-difluoropropyl] N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)OCC(F)(F)COc1cc(C2CNC(=O)NC2=O)nn2ncnc12
InChIInChI=1S/C16H19F2N7O5/c1-8(2)22-15(28)30-6-16(17,18)5-29-11-3-10(24-25-12(11)20-7-21-25)9-4-19-14(27)23-13(9)26/h3,7-9H,4-6H2,1-2H3,(H,22,28)(H2,19,23,26,27)
InChIKeyHYDCFPNSKSZTFD-UHFFFAOYSA-N
MW427.37 g/mol
LogP0.20
Rot. Bonds7

About [3-[[6-(2,4-dioxo-1,3-diazinan-5-yl)-[1,2,4]triazolo[1,5-b]pyridazin-8-yl]oxy]-2,2-difluoropropyl] N-propan-2-ylcarbamate

[3-[[6-(2,4-dioxo-1,3-diazinan-5-yl)-[1,2,4]triazolo[1,5-b]pyridazin-8-yl]oxy]-2,2-difluoropropyl] N-propan-2-ylcarbamate (PubChem CID 171368660) has the molecular formula C16H19F2N7O5 and a molecular weight of 427.37 g/mol. Its IUPAC name is [3-[[6-(2,4-dioxo-1,3-diazinan-5-yl)-[1,2,4]triazolo[1,5-b]pyridazin-8-yl]oxy]-2,2-difluoropropyl] N-propan-2-ylcarbamate.

Molecular Properties

Compound Name[3-[[6-(2,4-dioxo-1,3-diazinan-5-yl)-[1,2,4]triazolo[1,5-b]pyridazin-8-yl]oxy]-2,2-difluoropropyl] N-propan-2-ylcarbamate
PubChem CID171368660
Molecular FormulaC16H19F2N7O5
Molecular Weight427.37 g/mol
Exact Mass427.14
IUPAC Name[3-[[6-(2,4-dioxo-1,3-diazinan-5-yl)-[1,2,4]triazolo[1,5-b]pyridazin-8-yl]oxy]-2,2-difluoropropyl] N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)OCC(F)(F)COc1cc(C2CNC(=O)NC2=O)nn2ncnc12
InChIInChI=1S/C16H19F2N7O5/c1-8(2)22-15(28)30-6-16(17,18)5-29-11-3-10(24-25-12(11)20-7-21-25)9-4-19-14(27)23-13(9)26/h3,7-9H,4-6H2,1-2H3,(H,22,28)(H2,19,23,26,27)
InChIKeyHYDCFPNSKSZTFD-UHFFFAOYSA-N
XLogP0.20
TPSA148.84 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.37
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze [3-[[6-(2,4-dioxo-1,3-diazinan-5-yl)-[1,2,4]triazolo[1,5-b]pyridazin-8-yl]oxy]-2,2-difluoropropyl] N-propan-2-ylcarbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [3-[[6-(2,4-dioxo-1,3-diazinan-5-yl)-[1,2,4]triazolo[1,5-b]pyridazin-8-yl]oxy]-2,2-difluoropropyl] N-propan-2-ylcarbamate?
The IUPAC name of [3-[[6-(2,4-dioxo-1,3-diazinan-5-yl)-[1,2,4]triazolo[1,5-b]pyridazin-8-yl]oxy]-2,2-difluoropropyl] N-propan-2-ylcarbamate (CID 171368660) is [3-[[6-(2,4-dioxo-1,3-diazinan-5-yl)-[1,2,4]triazolo[1,5-b]pyridazin-8-yl]oxy]-2,2-difluoropropyl] N-propan-2-ylcarbamate.
What is the SMILES notation for [3-[[6-(2,4-dioxo-1,3-diazinan-5-yl)-[1,2,4]triazolo[1,5-b]pyridazin-8-yl]oxy]-2,2-difluoropropyl] N-propan-2-ylcarbamate?
The canonical SMILES for [3-[[6-(2,4-dioxo-1,3-diazinan-5-yl)-[1,2,4]triazolo[1,5-b]pyridazin-8-yl]oxy]-2,2-difluoropropyl] N-propan-2-ylcarbamate is CC(C)NC(=O)OCC(F)(F)COc1cc(C2CNC(=O)NC2=O)nn2ncnc12.
What is the InChIKey of [3-[[6-(2,4-dioxo-1,3-diazinan-5-yl)-[1,2,4]triazolo[1,5-b]pyridazin-8-yl]oxy]-2,2-difluoropropyl] N-propan-2-ylcarbamate?
The InChIKey is HYDCFPNSKSZTFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N7O5/c1-8(2)22-15(28)30-6-16(17,18)5-29-11-3-10(24-25-12(11)20-7-21-25)9-4-19-14(27)23-13(9)26/h3,7-9H,4-6H2,1-2H3,(H,22,28)(H2,19,23,26,27).
What are the key properties of [3-[[6-(2,4-dioxo-1,3-diazinan-5-yl)-[1,2,4]triazolo[1,5-b]pyridazin-8-yl]oxy]-2,2-difluoropropyl] N-propan-2-ylcarbamate?
[3-[[6-(2,4-dioxo-1,3-diazinan-5-yl)-[1,2,4]triazolo[1,5-b]pyridazin-8-yl]oxy]-2,2-difluoropropyl] N-propan-2-ylcarbamate has a molecular weight of 427.37 g/mol, XLogP of 0.20, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[6-(2,4-dioxo-1,3-diazinan-5-yl)-[1,2,4]triazolo[1,5-b]pyridazin-8-yl]oxy]-2,2-difluoropropyl] N-propan-2-ylcarbamate is sourced from PubChem (CID 171368660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).