2-amino-6-methyl-5-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C7H6F3N5O — CID 63744067

IUPAC2-amino-6-methyl-5-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1c(C(F)(F)F)nc2nc(N)[nH]n2c1=O
InChIInChI=1S/C7H6F3N5O/c1-2-3(7(8,9)10)12-6-13-5(11)14-15(6)4(2)16/h1H3,(H3,11,12,13,14)
InChIKeyPCMZTCDACSFFHV-UHFFFAOYSA-N
MW233.15 g/mol
LogP0.33
Rot. Bonds

About 2-amino-6-methyl-5-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

2-amino-6-methyl-5-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 63744067) has the molecular formula C7H6F3N5O and a molecular weight of 233.15 g/mol. Its IUPAC name is 2-amino-6-methyl-5-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-amino-6-methyl-5-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID63744067
Molecular FormulaC7H6F3N5O
Molecular Weight233.15 g/mol
Exact Mass233.05
IUPAC Name2-amino-6-methyl-5-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1c(C(F)(F)F)nc2nc(N)[nH]n2c1=O
InChIInChI=1S/C7H6F3N5O/c1-2-3(7(8,9)10)12-6-13-5(11)14-15(6)4(2)16/h1H3,(H3,11,12,13,14)
InChIKeyPCMZTCDACSFFHV-UHFFFAOYSA-N
XLogP0.33
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.15
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-methyl-5-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-amino-6-methyl-5-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 63744067) is 2-amino-6-methyl-5-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-amino-6-methyl-5-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-amino-6-methyl-5-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is Cc1c(C(F)(F)F)nc2nc(N)[nH]n2c1=O.
What is the InChIKey of 2-amino-6-methyl-5-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is PCMZTCDACSFFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3N5O/c1-2-3(7(8,9)10)12-6-13-5(11)14-15(6)4(2)16/h1H3,(H3,11,12,13,14).
What are the key properties of 2-amino-6-methyl-5-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
2-amino-6-methyl-5-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 233.15 g/mol, XLogP of 0.33, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-methyl-5-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 63744067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).