6-(2,2-difluoroethylamino)-2H-1,2,4-triazine-3,5-dione

C5H6F2N4O2 — CID 79098619

IUPAC6-(2,2-difluoroethylamino)-2H-1,2,4-triazine-3,5-dione
SMILESO=c1[nH]nc(NCC(F)F)c(=O)[nH]1
InChIInChI=1S/C5H6F2N4O2/c6-2(7)1-8-3-4(12)9-5(13)11-10-3/h2H,1H2,(H,8,10)(H2,9,11,12,13)
InChIKeyUSXKAVOGYNHUNK-UHFFFAOYSA-N
MW192.12 g/mol
LogP-0.86
Rot. Bonds3

About 6-(2,2-difluoroethylamino)-2H-1,2,4-triazine-3,5-dione

6-(2,2-difluoroethylamino)-2H-1,2,4-triazine-3,5-dione (PubChem CID 79098619) has the molecular formula C5H6F2N4O2 and a molecular weight of 192.12 g/mol. Its IUPAC name is 6-(2,2-difluoroethylamino)-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-(2,2-difluoroethylamino)-2H-1,2,4-triazine-3,5-dione
PubChem CID79098619
Molecular FormulaC5H6F2N4O2
Molecular Weight192.12 g/mol
Exact Mass192.05
IUPAC Name6-(2,2-difluoroethylamino)-2H-1,2,4-triazine-3,5-dione
SMILESO=c1[nH]nc(NCC(F)F)c(=O)[nH]1
InChIInChI=1S/C5H6F2N4O2/c6-2(7)1-8-3-4(12)9-5(13)11-10-3/h2H,1H2,(H,8,10)(H2,9,11,12,13)
InChIKeyUSXKAVOGYNHUNK-UHFFFAOYSA-N
XLogP-0.86
TPSA90.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.12
LogP ≤ 5-0.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2,2-difluoroethylamino)-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-(2,2-difluoroethylamino)-2H-1,2,4-triazine-3,5-dione (CID 79098619) is 6-(2,2-difluoroethylamino)-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-(2,2-difluoroethylamino)-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-(2,2-difluoroethylamino)-2H-1,2,4-triazine-3,5-dione is O=c1[nH]nc(NCC(F)F)c(=O)[nH]1.
What is the InChIKey of 6-(2,2-difluoroethylamino)-2H-1,2,4-triazine-3,5-dione?
The InChIKey is USXKAVOGYNHUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F2N4O2/c6-2(7)1-8-3-4(12)9-5(13)11-10-3/h2H,1H2,(H,8,10)(H2,9,11,12,13).
What are the key properties of 6-(2,2-difluoroethylamino)-2H-1,2,4-triazine-3,5-dione?
6-(2,2-difluoroethylamino)-2H-1,2,4-triazine-3,5-dione has a molecular weight of 192.12 g/mol, XLogP of -0.86, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-difluoroethylamino)-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 79098619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).