6-[2-aminoethyl(2,2-difluoroethyl)amino]-2H-1,2,4-triazine-3,5-dione

C7H11F2N5O2 — CID 107494051

IUPAC6-[2-aminoethyl(2,2-difluoroethyl)amino]-2H-1,2,4-triazine-3,5-dione
SMILESNCCN(CC(F)F)c1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C7H11F2N5O2/c8-4(9)3-14(2-1-10)5-6(15)11-7(16)13-12-5/h4H,1-3,10H2,(H2,11,13,15,16)
InChIKeyHQASPTHRIGBWGH-UHFFFAOYSA-N
MW235.19 g/mol
LogP-1.51
Rot. Bonds5

About 6-[2-aminoethyl(2,2-difluoroethyl)amino]-2H-1,2,4-triazine-3,5-dione

6-[2-aminoethyl(2,2-difluoroethyl)amino]-2H-1,2,4-triazine-3,5-dione (PubChem CID 107494051) has the molecular formula C7H11F2N5O2 and a molecular weight of 235.19 g/mol. Its IUPAC name is 6-[2-aminoethyl(2,2-difluoroethyl)amino]-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[2-aminoethyl(2,2-difluoroethyl)amino]-2H-1,2,4-triazine-3,5-dione
PubChem CID107494051
Molecular FormulaC7H11F2N5O2
Molecular Weight235.19 g/mol
Exact Mass235.09
IUPAC Name6-[2-aminoethyl(2,2-difluoroethyl)amino]-2H-1,2,4-triazine-3,5-dione
SMILESNCCN(CC(F)F)c1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C7H11F2N5O2/c8-4(9)3-14(2-1-10)5-6(15)11-7(16)13-12-5/h4H,1-3,10H2,(H2,11,13,15,16)
InChIKeyHQASPTHRIGBWGH-UHFFFAOYSA-N
XLogP-1.51
TPSA107.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.19
LogP ≤ 5-1.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-aminoethyl(2,2-difluoroethyl)amino]-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[2-aminoethyl(2,2-difluoroethyl)amino]-2H-1,2,4-triazine-3,5-dione (CID 107494051) is 6-[2-aminoethyl(2,2-difluoroethyl)amino]-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[2-aminoethyl(2,2-difluoroethyl)amino]-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[2-aminoethyl(2,2-difluoroethyl)amino]-2H-1,2,4-triazine-3,5-dione is NCCN(CC(F)F)c1n[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-[2-aminoethyl(2,2-difluoroethyl)amino]-2H-1,2,4-triazine-3,5-dione?
The InChIKey is HQASPTHRIGBWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2N5O2/c8-4(9)3-14(2-1-10)5-6(15)11-7(16)13-12-5/h4H,1-3,10H2,(H2,11,13,15,16).
What are the key properties of 6-[2-aminoethyl(2,2-difluoroethyl)amino]-2H-1,2,4-triazine-3,5-dione?
6-[2-aminoethyl(2,2-difluoroethyl)amino]-2H-1,2,4-triazine-3,5-dione has a molecular weight of 235.19 g/mol, XLogP of -1.51, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-aminoethyl(2,2-difluoroethyl)amino]-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 107494051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).