7-(difluoromethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid

C8H6F2N4O2 — CID 603501

IUPAC7-(difluoromethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESCc1cc(C(F)F)n2nc(C(=O)O)nc2n1
InChIInChI=1S/C8H6F2N4O2/c1-3-2-4(5(9)10)14-8(11-3)12-6(13-14)7(15)16/h2,5H,1H3,(H,15,16)
InChIKeyVIQHWADMQYGCLE-UHFFFAOYSA-N
MW228.16 g/mol
LogP1.07
Rot. Bonds2

About 7-(difluoromethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid

7-(difluoromethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid (PubChem CID 603501) has the molecular formula C8H6F2N4O2 and a molecular weight of 228.16 g/mol. Its IUPAC name is 7-(difluoromethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name7-(difluoromethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid
PubChem CID603501
Molecular FormulaC8H6F2N4O2
Molecular Weight228.16 g/mol
Exact Mass228.05
IUPAC Name7-(difluoromethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESCc1cc(C(F)F)n2nc(C(=O)O)nc2n1
InChIInChI=1S/C8H6F2N4O2/c1-3-2-4(5(9)10)14-8(11-3)12-6(13-14)7(15)16/h2,5H,1H3,(H,15,16)
InChIKeyVIQHWADMQYGCLE-UHFFFAOYSA-N
XLogP1.07
TPSA80.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.16
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid?
The IUPAC name of 7-(difluoromethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid (CID 603501) is 7-(difluoromethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 7-(difluoromethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid?
The canonical SMILES for 7-(difluoromethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid is Cc1cc(C(F)F)n2nc(C(=O)O)nc2n1.
What is the InChIKey of 7-(difluoromethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid?
The InChIKey is VIQHWADMQYGCLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2N4O2/c1-3-2-4(5(9)10)14-8(11-3)12-6(13-14)7(15)16/h2,5H,1H3,(H,15,16).
What are the key properties of 7-(difluoromethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid?
7-(difluoromethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid has a molecular weight of 228.16 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 603501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).