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

C10H8F3N5 — CID 84804900

IUPAC2-methyl-2-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanenitrile
SMILESCC(C)(C#N)c1cnc2nc(C(F)(F)F)nn2c1
InChIInChI=1S/C10H8F3N5/c1-9(2,5-14)6-3-15-8-16-7(10(11,12)13)17-18(8)4-6/h3-4H,1-2H3
InChIKeyIILWYZLWEGCXSS-UHFFFAOYSA-N
MW255.20 g/mol
LogP1.94
Rot. Bonds1

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

2-methyl-2-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanenitrile (PubChem CID 84804900) has the molecular formula C10H8F3N5 and a molecular weight of 255.20 g/mol. Its IUPAC name is 2-methyl-2-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanenitrile.

Molecular Properties

Compound Name2-methyl-2-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanenitrile
PubChem CID84804900
Molecular FormulaC10H8F3N5
Molecular Weight255.20 g/mol
Exact Mass255.07
IUPAC Name2-methyl-2-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanenitrile
SMILESCC(C)(C#N)c1cnc2nc(C(F)(F)F)nn2c1
InChIInChI=1S/C10H8F3N5/c1-9(2,5-14)6-3-15-8-16-7(10(11,12)13)17-18(8)4-6/h3-4H,1-2H3
InChIKeyIILWYZLWEGCXSS-UHFFFAOYSA-N
XLogP1.94
TPSA66.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.20
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-Tert-butyl-2-(4-fluoropent-2-en-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 123583424
5-Amino-1-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]pyrazole-3,4-dicarbonitrile
CID 142492958
2,2-Difluoropropane;2-methyl-5-(1-methylpyrazol-4-yl)pyrimidine
CID 143813096
6-Tert-butyl-2-fluoropyrazolo[1,5-a]pyrimidine
CID 146435520
2-(4-Tert-butylpyrazol-1-yl)-5-fluoropyrimidine
CID 153298699
6-Tert-butyl-1-(1,1-difluoropropyl)pyrazolo[3,4-d]pyrimidine
CID 155790085
3-Tert-butyl-6-fluoropyrazolo[1,5-a]pyrimidin-2-amine
CID 164955557
5,6-Dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 174520509
2-Methyl-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile
CID 175873064
8-(2,2,2-Trifluoroethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 175883231
N-methyl-5-propan-2-yl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine
CID 80867813
5-ethyl-N-methyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine
CID 80868404

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanenitrile?
The IUPAC name of 2-methyl-2-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanenitrile (CID 84804900) is 2-methyl-2-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanenitrile.
What is the SMILES notation for 2-methyl-2-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanenitrile?
The canonical SMILES for 2-methyl-2-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanenitrile is CC(C)(C#N)c1cnc2nc(C(F)(F)F)nn2c1.
What is the InChIKey of 2-methyl-2-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanenitrile?
The InChIKey is IILWYZLWEGCXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N5/c1-9(2,5-14)6-3-15-8-16-7(10(11,12)13)17-18(8)4-6/h3-4H,1-2H3.
What are the key properties of 2-methyl-2-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanenitrile?
2-methyl-2-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanenitrile has a molecular weight of 255.20 g/mol, XLogP of 1.94, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanenitrile is sourced from PubChem (CID 84804900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).