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

C9H9F3N4 — CID 126671002

IUPAC7-ethyl-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCCc1cc(C)nc2nc(C(F)(F)F)nn12
InChIInChI=1S/C9H9F3N4/c1-3-6-4-5(2)13-8-14-7(9(10,11)12)15-16(6)8/h4H,3H2,1-2H3
InChIKeyIRQCZXLVSDBPTM-UHFFFAOYSA-N
MW230.19 g/mol
LogP2.01
Rot. Bonds1

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

7-ethyl-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 126671002) has the molecular formula C9H9F3N4 and a molecular weight of 230.19 g/mol. Its IUPAC name is 7-ethyl-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-ethyl-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID126671002
Molecular FormulaC9H9F3N4
Molecular Weight230.19 g/mol
Exact Mass230.08
IUPAC Name7-ethyl-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCCc1cc(C)nc2nc(C(F)(F)F)nn12
InChIInChI=1S/C9H9F3N4/c1-3-6-4-5(2)13-8-14-7(9(10,11)12)15-16(6)8/h4H,3H2,1-2H3
InChIKeyIRQCZXLVSDBPTM-UHFFFAOYSA-N
XLogP2.01
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.19
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-ethyl-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 126671002) is 7-ethyl-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-ethyl-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-ethyl-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine is CCc1cc(C)nc2nc(C(F)(F)F)nn12.
What is the InChIKey of 7-ethyl-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is IRQCZXLVSDBPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N4/c1-3-6-4-5(2)13-8-14-7(9(10,11)12)15-16(6)8/h4H,3H2,1-2H3.
What are the key properties of 7-ethyl-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
7-ethyl-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 230.19 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 126671002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).