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

C6H9F2N5O2 — CID 114384202

IUPAC6-[(3-amino-2,2-difluoropropyl)amino]-2H-1,2,4-triazine-3,5-dione
SMILESNCC(F)(F)CNc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C6H9F2N5O2/c7-6(8,1-9)2-10-3-4(14)11-5(15)13-12-3/h1-2,9H2,(H,10,12)(H2,11,13,14,15)
InChIKeyWJZKDFSDUPCORO-UHFFFAOYSA-N
MW221.17 g/mol
LogP-1.54
Rot. Bonds4

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

6-[(3-amino-2,2-difluoropropyl)amino]-2H-1,2,4-triazine-3,5-dione (PubChem CID 114384202) has the molecular formula C6H9F2N5O2 and a molecular weight of 221.17 g/mol. Its IUPAC name is 6-[(3-amino-2,2-difluoropropyl)amino]-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[(3-amino-2,2-difluoropropyl)amino]-2H-1,2,4-triazine-3,5-dione
PubChem CID114384202
Molecular FormulaC6H9F2N5O2
Molecular Weight221.17 g/mol
Exact Mass221.07
IUPAC Name6-[(3-amino-2,2-difluoropropyl)amino]-2H-1,2,4-triazine-3,5-dione
SMILESNCC(F)(F)CNc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C6H9F2N5O2/c7-6(8,1-9)2-10-3-4(14)11-5(15)13-12-3/h1-2,9H2,(H,10,12)(H2,11,13,14,15)
InChIKeyWJZKDFSDUPCORO-UHFFFAOYSA-N
XLogP-1.54
TPSA116.66 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.17
LogP ≤ 5-1.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(3-amino-2,2-difluoropropyl)amino]-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[(3-amino-2,2-difluoropropyl)amino]-2H-1,2,4-triazine-3,5-dione (CID 114384202) is 6-[(3-amino-2,2-difluoropropyl)amino]-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[(3-amino-2,2-difluoropropyl)amino]-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[(3-amino-2,2-difluoropropyl)amino]-2H-1,2,4-triazine-3,5-dione is NCC(F)(F)CNc1n[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-[(3-amino-2,2-difluoropropyl)amino]-2H-1,2,4-triazine-3,5-dione?
The InChIKey is WJZKDFSDUPCORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2N5O2/c7-6(8,1-9)2-10-3-4(14)11-5(15)13-12-3/h1-2,9H2,(H,10,12)(H2,11,13,14,15).
What are the key properties of 6-[(3-amino-2,2-difluoropropyl)amino]-2H-1,2,4-triazine-3,5-dione?
6-[(3-amino-2,2-difluoropropyl)amino]-2H-1,2,4-triazine-3,5-dione has a molecular weight of 221.17 g/mol, XLogP of -1.54, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-amino-2,2-difluoropropyl)amino]-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 114384202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).