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

C6H8F2N4O3 — CID 103731311

IUPAC6-[(3,3-difluoro-2-hydroxypropyl)amino]-2H-1,2,4-triazine-3,5-dione
SMILESO=c1[nH]nc(NCC(O)C(F)F)c(=O)[nH]1
InChIInChI=1S/C6H8F2N4O3/c7-3(8)2(13)1-9-4-5(14)10-6(15)12-11-4/h2-3,13H,1H2,(H,9,11)(H2,10,12,14,15)
InChIKeyRUHOALHPTFMUIC-UHFFFAOYSA-N
MW222.15 g/mol
LogP-1.50
Rot. Bonds4

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

6-[(3,3-difluoro-2-hydroxypropyl)amino]-2H-1,2,4-triazine-3,5-dione (PubChem CID 103731311) has the molecular formula C6H8F2N4O3 and a molecular weight of 222.15 g/mol. Its IUPAC name is 6-[(3,3-difluoro-2-hydroxypropyl)amino]-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[(3,3-difluoro-2-hydroxypropyl)amino]-2H-1,2,4-triazine-3,5-dione
PubChem CID103731311
Molecular FormulaC6H8F2N4O3
Molecular Weight222.15 g/mol
Exact Mass222.06
IUPAC Name6-[(3,3-difluoro-2-hydroxypropyl)amino]-2H-1,2,4-triazine-3,5-dione
SMILESO=c1[nH]nc(NCC(O)C(F)F)c(=O)[nH]1
InChIInChI=1S/C6H8F2N4O3/c7-3(8)2(13)1-9-4-5(14)10-6(15)12-11-4/h2-3,13H,1H2,(H,9,11)(H2,10,12,14,15)
InChIKeyRUHOALHPTFMUIC-UHFFFAOYSA-N
XLogP-1.50
TPSA110.87 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.15
LogP ≤ 5-1.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(3,3-difluoro-2-hydroxypropyl)amino]-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[(3,3-difluoro-2-hydroxypropyl)amino]-2H-1,2,4-triazine-3,5-dione (CID 103731311) is 6-[(3,3-difluoro-2-hydroxypropyl)amino]-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[(3,3-difluoro-2-hydroxypropyl)amino]-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[(3,3-difluoro-2-hydroxypropyl)amino]-2H-1,2,4-triazine-3,5-dione is O=c1[nH]nc(NCC(O)C(F)F)c(=O)[nH]1.
What is the InChIKey of 6-[(3,3-difluoro-2-hydroxypropyl)amino]-2H-1,2,4-triazine-3,5-dione?
The InChIKey is RUHOALHPTFMUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2N4O3/c7-3(8)2(13)1-9-4-5(14)10-6(15)12-11-4/h2-3,13H,1H2,(H,9,11)(H2,10,12,14,15).
What are the key properties of 6-[(3,3-difluoro-2-hydroxypropyl)amino]-2H-1,2,4-triazine-3,5-dione?
6-[(3,3-difluoro-2-hydroxypropyl)amino]-2H-1,2,4-triazine-3,5-dione has a molecular weight of 222.15 g/mol, XLogP of -1.50, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3,3-difluoro-2-hydroxypropyl)amino]-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 103731311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).