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

C8H12F2N4O3 — CID 104858614

IUPAC6-[(2,2-difluoro-3-hydroxypropyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCn1nc(NCC(F)(F)CO)c(=O)n(C)c1=O
InChIInChI=1S/C8H12F2N4O3/c1-13-6(16)5(12-14(2)7(13)17)11-3-8(9,10)4-15/h15H,3-4H2,1-2H3,(H,11,12)
InChIKeyVZMWIVGHPLJCFY-UHFFFAOYSA-N
MW250.20 g/mol
LogP-1.48
Rot. Bonds4

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

6-[(2,2-difluoro-3-hydroxypropyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione (PubChem CID 104858614) has the molecular formula C8H12F2N4O3 and a molecular weight of 250.20 g/mol. Its IUPAC name is 6-[(2,2-difluoro-3-hydroxypropyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[(2,2-difluoro-3-hydroxypropyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
PubChem CID104858614
Molecular FormulaC8H12F2N4O3
Molecular Weight250.20 g/mol
Exact Mass250.09
IUPAC Name6-[(2,2-difluoro-3-hydroxypropyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCn1nc(NCC(F)(F)CO)c(=O)n(C)c1=O
InChIInChI=1S/C8H12F2N4O3/c1-13-6(16)5(12-14(2)7(13)17)11-3-8(9,10)4-15/h15H,3-4H2,1-2H3,(H,11,12)
InChIKeyVZMWIVGHPLJCFY-UHFFFAOYSA-N
XLogP-1.48
TPSA89.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.20
LogP ≤ 5-1.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[(2,2-difluoro-3-hydroxypropyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[(2,2-difluoro-3-hydroxypropyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione (CID 104858614) is 6-[(2,2-difluoro-3-hydroxypropyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[(2,2-difluoro-3-hydroxypropyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[(2,2-difluoro-3-hydroxypropyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione is Cn1nc(NCC(F)(F)CO)c(=O)n(C)c1=O.
What is the InChIKey of 6-[(2,2-difluoro-3-hydroxypropyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The InChIKey is VZMWIVGHPLJCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N4O3/c1-13-6(16)5(12-14(2)7(13)17)11-3-8(9,10)4-15/h15H,3-4H2,1-2H3,(H,11,12).
What are the key properties of 6-[(2,2-difluoro-3-hydroxypropyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
6-[(2,2-difluoro-3-hydroxypropyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione has a molecular weight of 250.20 g/mol, XLogP of -1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,2-difluoro-3-hydroxypropyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 104858614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).