7-amino-2-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one

C6H4F3N5O — CID 135906284

IUPAC7-amino-2-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
SMILESNc1cc(=O)[nH]c2nc(C(F)(F)F)nn12
InChIInChI=1S/C6H4F3N5O/c7-6(8,9)4-12-5-11-3(15)1-2(10)14(5)13-4/h1H,10H2,(H,11,12,13,15)
InChIKeyCDGVGANQHOUKCK-UHFFFAOYSA-N
MW219.13 g/mol
LogP0.02
Rot. Bonds

About 7-amino-2-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one

7-amino-2-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one (PubChem CID 135906284) has the molecular formula C6H4F3N5O and a molecular weight of 219.13 g/mol. Its IUPAC name is 7-amino-2-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-amino-2-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
PubChem CID135906284
Molecular FormulaC6H4F3N5O
Molecular Weight219.13 g/mol
Exact Mass219.04
IUPAC Name7-amino-2-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
SMILESNc1cc(=O)[nH]c2nc(C(F)(F)F)nn12
InChIInChI=1S/C6H4F3N5O/c7-6(8,9)4-12-5-11-3(15)1-2(10)14(5)13-4/h1H,10H2,(H,11,12,13,15)
InChIKeyCDGVGANQHOUKCK-UHFFFAOYSA-N
XLogP0.02
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.13
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,7-Dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-5(1h)-one
CID 135562688
2-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
CID 156834148
7-hydroxy-2-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
CID 178782748
N-[5-oxo-2-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]propanamide
CID 135400034
2-methyl-N-[5-oxo-2-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]propanamide
CID 135456272
N-[5-oxo-2-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]butanamide
CID 135519707
7-Amino-2-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-5-ol hydrochloride
CID 137129998
6-Fluoro-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diol
CID 165474455
2-Methyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-ol
CID 165474501
7-(Difluoromethyl)-2-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-ol
CID 165483683
7-(Difluoromethyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-ol
CID 165786137
7-amino-2-methyl[1,2,4]triazolo[1,5-a]pyrimidin-5(4H)-one
CID 135465167

Frequently Asked Questions

What is the IUPAC name of 7-amino-2-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 7-amino-2-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one (CID 135906284) is 7-amino-2-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 7-amino-2-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 7-amino-2-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one is Nc1cc(=O)[nH]c2nc(C(F)(F)F)nn12.
What is the InChIKey of 7-amino-2-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The InChIKey is CDGVGANQHOUKCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3N5O/c7-6(8,9)4-12-5-11-3(15)1-2(10)14(5)13-4/h1H,10H2,(H,11,12,13,15).
What are the key properties of 7-amino-2-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
7-amino-2-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one has a molecular weight of 219.13 g/mol, XLogP of 0.02, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-2-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 135906284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).