1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]cyclobutane-1-carbonitrile

C11H8F3N5 — CID 84808052

IUPAC1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]cyclobutane-1-carbonitrile
SMILESN#CC1(c2cnc3nc(C(F)(F)F)nn3c2)CCC1
InChIInChI=1S/C11H8F3N5/c12-11(13,14)8-17-9-16-4-7(5-19(9)18-8)10(6-15)2-1-3-10/h4-5H,1-3H2
InChIKeyKSENLZNPWUOPGU-UHFFFAOYSA-N
MW267.21 g/mol
LogP2.09
Rot. Bonds1

About 1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]cyclobutane-1-carbonitrile

1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]cyclobutane-1-carbonitrile (PubChem CID 84808052) has the molecular formula C11H8F3N5 and a molecular weight of 267.21 g/mol. Its IUPAC name is 1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]cyclobutane-1-carbonitrile
PubChem CID84808052
Molecular FormulaC11H8F3N5
Molecular Weight267.21 g/mol
Exact Mass267.07
IUPAC Name1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]cyclobutane-1-carbonitrile
SMILESN#CC1(c2cnc3nc(C(F)(F)F)nn3c2)CCC1
InChIInChI=1S/C11H8F3N5/c12-11(13,14)8-17-9-16-4-7(5-19(9)18-8)10(6-15)2-1-3-10/h4-5H,1-3H2
InChIKeyKSENLZNPWUOPGU-UHFFFAOYSA-N
XLogP2.09
TPSA66.87 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 ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]cyclobutane-1-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]cyclobutane-1-carbonitrile?
The IUPAC name of 1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]cyclobutane-1-carbonitrile (CID 84808052) is 1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]cyclobutane-1-carbonitrile.
What is the SMILES notation for 1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]cyclobutane-1-carbonitrile?
The canonical SMILES for 1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]cyclobutane-1-carbonitrile is N#CC1(c2cnc3nc(C(F)(F)F)nn3c2)CCC1.
What is the InChIKey of 1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]cyclobutane-1-carbonitrile?
The InChIKey is KSENLZNPWUOPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N5/c12-11(13,14)8-17-9-16-4-7(5-19(9)18-8)10(6-15)2-1-3-10/h4-5H,1-3H2.
What are the key properties of 1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]cyclobutane-1-carbonitrile?
1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]cyclobutane-1-carbonitrile has a molecular weight of 267.21 g/mol, XLogP of 2.09, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]cyclobutane-1-carbonitrile is sourced from PubChem (CID 84808052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).