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

C6H4F3N5O — CID 612884

IUPAC2-amino-5-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESNc1nc2nc(C(F)(F)F)cc(=O)n2[nH]1
InChIInChI=1S/C6H4F3N5O/c7-6(8,9)2-1-3(15)14-5(11-2)12-4(10)13-14/h1H,(H3,10,11,12,13)
InChIKeyMKBUCOPGSJQIIP-UHFFFAOYSA-N
MW219.13 g/mol
LogP0.02
Rot. Bonds

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

2-amino-5-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 612884) has the molecular formula C6H4F3N5O and a molecular weight of 219.13 g/mol. Its IUPAC name is 2-amino-5-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-amino-5-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID612884
Molecular FormulaC6H4F3N5O
Molecular Weight219.13 g/mol
Exact Mass219.04
IUPAC Name2-amino-5-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESNc1nc2nc(C(F)(F)F)cc(=O)n2[nH]1
InChIInChI=1S/C6H4F3N5O/c7-6(8,9)2-1-3(15)14-5(11-2)12-4(10)13-14/h1H,(H3,10,11,12,13)
InChIKeyMKBUCOPGSJQIIP-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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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-amino-5-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 612884) is 2-amino-5-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-amino-5-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-amino-5-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is Nc1nc2nc(C(F)(F)F)cc(=O)n2[nH]1.
What is the InChIKey of 2-amino-5-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is MKBUCOPGSJQIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3N5O/c7-6(8,9)2-1-3(15)14-5(11-2)12-4(10)13-14/h1H,(H3,10,11,12,13).
What are the key properties of 2-amino-5-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
2-amino-5-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-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 2-amino-5-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 612884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).