4-oxo-3-(2,2,2-trifluoroethyl)imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide

C7H5F3N6O2 — CID 10491686

IUPAC4-oxo-3-(2,2,2-trifluoroethyl)imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
SMILESNC(=O)c1ncn2c(=O)n(CC(F)(F)F)nnc12
InChIInChI=1S/C7H5F3N6O2/c8-7(9,10)1-16-6(18)15-2-12-3(4(11)17)5(15)13-14-16/h2H,1H2,(H2,11,17)
InChIKeyFHDZVTOXTZKVKB-UHFFFAOYSA-N
MW262.15 g/mol
LogP-1.05
Rot. Bonds2

About 4-oxo-3-(2,2,2-trifluoroethyl)imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide

4-oxo-3-(2,2,2-trifluoroethyl)imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide (PubChem CID 10491686) has the molecular formula C7H5F3N6O2 and a molecular weight of 262.15 g/mol. Its IUPAC name is 4-oxo-3-(2,2,2-trifluoroethyl)imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide.

Molecular Properties

Compound Name4-oxo-3-(2,2,2-trifluoroethyl)imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
PubChem CID10491686
Molecular FormulaC7H5F3N6O2
Molecular Weight262.15 g/mol
Exact Mass262.04
IUPAC Name4-oxo-3-(2,2,2-trifluoroethyl)imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
SMILESNC(=O)c1ncn2c(=O)n(CC(F)(F)F)nnc12
InChIInChI=1S/C7H5F3N6O2/c8-7(9,10)1-16-6(18)15-2-12-3(4(11)17)5(15)13-14-16/h2H,1H2,(H2,11,17)
InChIKeyFHDZVTOXTZKVKB-UHFFFAOYSA-N
XLogP-1.05
TPSA108.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.15
LogP ≤ 5-1.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-3-(2,2,2-trifluoroethyl)imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide?
The IUPAC name of 4-oxo-3-(2,2,2-trifluoroethyl)imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide (CID 10491686) is 4-oxo-3-(2,2,2-trifluoroethyl)imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide.
What is the SMILES notation for 4-oxo-3-(2,2,2-trifluoroethyl)imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide?
The canonical SMILES for 4-oxo-3-(2,2,2-trifluoroethyl)imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide is NC(=O)c1ncn2c(=O)n(CC(F)(F)F)nnc12.
What is the InChIKey of 4-oxo-3-(2,2,2-trifluoroethyl)imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide?
The InChIKey is FHDZVTOXTZKVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N6O2/c8-7(9,10)1-16-6(18)15-2-12-3(4(11)17)5(15)13-14-16/h2H,1H2,(H2,11,17).
What are the key properties of 4-oxo-3-(2,2,2-trifluoroethyl)imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide?
4-oxo-3-(2,2,2-trifluoroethyl)imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide has a molecular weight of 262.15 g/mol, XLogP of -1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-3-(2,2,2-trifluoroethyl)imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide is sourced from PubChem (CID 10491686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).