5-methyl-7-pyrrol-1-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine

C11H8F3N5 — CID 71595886

IUPAC5-methyl-7-pyrrol-1-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(-n2cccc2)n2nc(C(F)(F)F)nc2n1
InChIInChI=1S/C11H8F3N5/c1-7-6-8(18-4-2-3-5-18)19-10(15-7)16-9(17-19)11(12,13)14/h2-6H,1H3
InChIKeyDWNFAJNDRJXOBR-UHFFFAOYSA-N
MW267.21 g/mol
LogP2.24
Rot. Bonds1

About 5-methyl-7-pyrrol-1-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine

5-methyl-7-pyrrol-1-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 71595886) has the molecular formula C11H8F3N5 and a molecular weight of 267.21 g/mol. Its IUPAC name is 5-methyl-7-pyrrol-1-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-methyl-7-pyrrol-1-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID71595886
Molecular FormulaC11H8F3N5
Molecular Weight267.21 g/mol
Exact Mass267.07
IUPAC Name5-methyl-7-pyrrol-1-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(-n2cccc2)n2nc(C(F)(F)F)nc2n1
InChIInChI=1S/C11H8F3N5/c1-7-6-8(18-4-2-3-5-18)19-10(15-7)16-9(17-19)11(12,13)14/h2-6H,1H3
InChIKeyDWNFAJNDRJXOBR-UHFFFAOYSA-N
XLogP2.24
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.21
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-pyrrol-1-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5-methyl-7-pyrrol-1-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 71595886) is 5-methyl-7-pyrrol-1-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-methyl-7-pyrrol-1-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-methyl-7-pyrrol-1-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1cc(-n2cccc2)n2nc(C(F)(F)F)nc2n1.
What is the InChIKey of 5-methyl-7-pyrrol-1-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is DWNFAJNDRJXOBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N5/c1-7-6-8(18-4-2-3-5-18)19-10(15-7)16-9(17-19)11(12,13)14/h2-6H,1H3.
What are the key properties of 5-methyl-7-pyrrol-1-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
5-methyl-7-pyrrol-1-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 267.21 g/mol, XLogP of 2.24, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-pyrrol-1-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 71595886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).