3-[2-(difluoromethoxy)ethyl]-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide

C8H8F2N6O3 — CID 176650217

IUPAC3-[2-(difluoromethoxy)ethyl]-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
SMILESNC(=O)c1ncn2c(=O)n(CCOC(F)F)nnc12
InChIInChI=1S/C8H8F2N6O3/c9-7(10)19-2-1-16-8(18)15-3-12-4(5(11)17)6(15)13-14-16/h3,7H,1-2H2,(H2,11,17)
InChIKeyVSKPNOJYKWWAII-UHFFFAOYSA-N
MW274.19 g/mol
LogP-1.38
Rot. Bonds5

About 3-[2-(difluoromethoxy)ethyl]-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide

3-[2-(difluoromethoxy)ethyl]-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide (PubChem CID 176650217) has the molecular formula C8H8F2N6O3 and a molecular weight of 274.19 g/mol. Its IUPAC name is 3-[2-(difluoromethoxy)ethyl]-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide.

Molecular Properties

Compound Name3-[2-(difluoromethoxy)ethyl]-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
PubChem CID176650217
Molecular FormulaC8H8F2N6O3
Molecular Weight274.19 g/mol
Exact Mass274.06
IUPAC Name3-[2-(difluoromethoxy)ethyl]-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
SMILESNC(=O)c1ncn2c(=O)n(CCOC(F)F)nnc12
InChIInChI=1S/C8H8F2N6O3/c9-7(10)19-2-1-16-8(18)15-3-12-4(5(11)17)6(15)13-14-16/h3,7H,1-2H2,(H2,11,17)
InChIKeyVSKPNOJYKWWAII-UHFFFAOYSA-N
XLogP-1.38
TPSA117.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.19
LogP ≤ 5-1.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(difluoromethoxy)ethyl]-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide?
The IUPAC name of 3-[2-(difluoromethoxy)ethyl]-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide (CID 176650217) is 3-[2-(difluoromethoxy)ethyl]-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide.
What is the SMILES notation for 3-[2-(difluoromethoxy)ethyl]-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide?
The canonical SMILES for 3-[2-(difluoromethoxy)ethyl]-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide is NC(=O)c1ncn2c(=O)n(CCOC(F)F)nnc12.
What is the InChIKey of 3-[2-(difluoromethoxy)ethyl]-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide?
The InChIKey is VSKPNOJYKWWAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N6O3/c9-7(10)19-2-1-16-8(18)15-3-12-4(5(11)17)6(15)13-14-16/h3,7H,1-2H2,(H2,11,17).
What are the key properties of 3-[2-(difluoromethoxy)ethyl]-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide?
3-[2-(difluoromethoxy)ethyl]-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide has a molecular weight of 274.19 g/mol, XLogP of -1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(difluoromethoxy)ethyl]-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide is sourced from PubChem (CID 176650217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).