2-methyl-7-(1,2,2,2-tetrafluoroethyl)-[1,2,4]triazolo[1,5-c]pyrimidine

C8H6F4N4 — CID 170213685

IUPAC2-methyl-7-(1,2,2,2-tetrafluoroethyl)-[1,2,4]triazolo[1,5-c]pyrimidine
SMILESCc1nc2cc(C(F)C(F)(F)F)ncn2n1
InChIInChI=1S/C8H6F4N4/c1-4-14-6-2-5(7(9)8(10,11)12)13-3-16(6)15-4/h2-3,7H,1H3
InChIKeyGYSUEEROXIRHCD-UHFFFAOYSA-N
MW234.16 g/mol
LogP2.01
Rot. Bonds1

About 2-methyl-7-(1,2,2,2-tetrafluoroethyl)-[1,2,4]triazolo[1,5-c]pyrimidine

2-methyl-7-(1,2,2,2-tetrafluoroethyl)-[1,2,4]triazolo[1,5-c]pyrimidine (PubChem CID 170213685) has the molecular formula C8H6F4N4 and a molecular weight of 234.16 g/mol. Its IUPAC name is 2-methyl-7-(1,2,2,2-tetrafluoroethyl)-[1,2,4]triazolo[1,5-c]pyrimidine.

Molecular Properties

Compound Name2-methyl-7-(1,2,2,2-tetrafluoroethyl)-[1,2,4]triazolo[1,5-c]pyrimidine
PubChem CID170213685
Molecular FormulaC8H6F4N4
Molecular Weight234.16 g/mol
Exact Mass234.05
IUPAC Name2-methyl-7-(1,2,2,2-tetrafluoroethyl)-[1,2,4]triazolo[1,5-c]pyrimidine
SMILESCc1nc2cc(C(F)C(F)(F)F)ncn2n1
InChIInChI=1S/C8H6F4N4/c1-4-14-6-2-5(7(9)8(10,11)12)13-3-16(6)15-4/h2-3,7H,1H3
InChIKeyGYSUEEROXIRHCD-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 ≤ 500234.16
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-(1,2,2,2-tetrafluoroethyl)-[1,2,4]triazolo[1,5-c]pyrimidine?
The IUPAC name of 2-methyl-7-(1,2,2,2-tetrafluoroethyl)-[1,2,4]triazolo[1,5-c]pyrimidine (CID 170213685) is 2-methyl-7-(1,2,2,2-tetrafluoroethyl)-[1,2,4]triazolo[1,5-c]pyrimidine.
What is the SMILES notation for 2-methyl-7-(1,2,2,2-tetrafluoroethyl)-[1,2,4]triazolo[1,5-c]pyrimidine?
The canonical SMILES for 2-methyl-7-(1,2,2,2-tetrafluoroethyl)-[1,2,4]triazolo[1,5-c]pyrimidine is Cc1nc2cc(C(F)C(F)(F)F)ncn2n1.
What is the InChIKey of 2-methyl-7-(1,2,2,2-tetrafluoroethyl)-[1,2,4]triazolo[1,5-c]pyrimidine?
The InChIKey is GYSUEEROXIRHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F4N4/c1-4-14-6-2-5(7(9)8(10,11)12)13-3-16(6)15-4/h2-3,7H,1H3.
What are the key properties of 2-methyl-7-(1,2,2,2-tetrafluoroethyl)-[1,2,4]triazolo[1,5-c]pyrimidine?
2-methyl-7-(1,2,2,2-tetrafluoroethyl)-[1,2,4]triazolo[1,5-c]pyrimidine has a molecular weight of 234.16 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 2-methyl-7-(1,2,2,2-tetrafluoroethyl)-[1,2,4]triazolo[1,5-c]pyrimidine is sourced from PubChem (CID 170213685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).