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

C5H7FN4O2 — CID 126973630

IUPAC6-(2-fluoroethylamino)-2H-1,2,4-triazine-3,5-dione
SMILESO=c1[nH]nc(NCCF)c(=O)[nH]1
InChIInChI=1S/C5H7FN4O2/c6-1-2-7-3-4(11)8-5(12)10-9-3/h1-2H2,(H,7,9)(H2,8,10,11,12)
InChIKeyBVWMPIHAGFRCMD-UHFFFAOYSA-N
MW174.13 g/mol
LogP-1.16
Rot. Bonds3

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

6-(2-fluoroethylamino)-2H-1,2,4-triazine-3,5-dione (PubChem CID 126973630) has the molecular formula C5H7FN4O2 and a molecular weight of 174.13 g/mol. Its IUPAC name is 6-(2-fluoroethylamino)-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-(2-fluoroethylamino)-2H-1,2,4-triazine-3,5-dione
PubChem CID126973630
Molecular FormulaC5H7FN4O2
Molecular Weight174.13 g/mol
Exact Mass174.06
IUPAC Name6-(2-fluoroethylamino)-2H-1,2,4-triazine-3,5-dione
SMILESO=c1[nH]nc(NCCF)c(=O)[nH]1
InChIInChI=1S/C5H7FN4O2/c6-1-2-7-3-4(11)8-5(12)10-9-3/h1-2H2,(H,7,9)(H2,8,10,11,12)
InChIKeyBVWMPIHAGFRCMD-UHFFFAOYSA-N
XLogP-1.16
TPSA90.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.13
LogP ≤ 5-1.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoroethylamino)-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-(2-fluoroethylamino)-2H-1,2,4-triazine-3,5-dione (CID 126973630) is 6-(2-fluoroethylamino)-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-(2-fluoroethylamino)-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-(2-fluoroethylamino)-2H-1,2,4-triazine-3,5-dione is O=c1[nH]nc(NCCF)c(=O)[nH]1.
What is the InChIKey of 6-(2-fluoroethylamino)-2H-1,2,4-triazine-3,5-dione?
The InChIKey is BVWMPIHAGFRCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7FN4O2/c6-1-2-7-3-4(11)8-5(12)10-9-3/h1-2H2,(H,7,9)(H2,8,10,11,12).
What are the key properties of 6-(2-fluoroethylamino)-2H-1,2,4-triazine-3,5-dione?
6-(2-fluoroethylamino)-2H-1,2,4-triazine-3,5-dione has a molecular weight of 174.13 g/mol, XLogP of -1.16, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoroethylamino)-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 126973630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).