6-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrimidine

C11H5ClF3N5 — CID 1476026

IUPAC6-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESFC(F)(F)c1cnc(-c2cnc3ncnn3c2)c(Cl)c1
InChIInChI=1S/C11H5ClF3N5/c12-8-1-7(11(13,14)15)3-16-9(8)6-2-17-10-18-5-19-20(10)4-6/h1-5H
InChIKeyLLFODWHINCIJDU-UHFFFAOYSA-N
MW299.64 g/mol
LogP2.86
Rot. Bonds1

About 6-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrimidine

6-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 1476026) has the molecular formula C11H5ClF3N5 and a molecular weight of 299.64 g/mol. Its IUPAC name is 6-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name6-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID1476026
Molecular FormulaC11H5ClF3N5
Molecular Weight299.64 g/mol
Exact Mass299.02
IUPAC Name6-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESFC(F)(F)c1cnc(-c2cnc3ncnn3c2)c(Cl)c1
InChIInChI=1S/C11H5ClF3N5/c12-8-1-7(11(13,14)15)3-16-9(8)6-2-17-10-18-5-19-20(10)4-6/h1-5H
InChIKeyLLFODWHINCIJDU-UHFFFAOYSA-N
XLogP2.86
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.64
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-phenylpyrazolo[1,5-a]pyrimidine
CID 1478940
2-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-2-amine
CID 84767353
6-(2-chloro-4,5-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 59805865
5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-methyl-2-oxopyridine-3-carbonitrile
CID 103595987
[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]-(4-methoxyphenyl)methanone
CID 1480210
2-chloro-5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzoyl chloride
CID 19068751
3-chloro-2-[5-(chloromethyl)-1,2,4-triazol-1-yl]-5-(trifluoromethyl)pyridine
CID 107447281
2-chloro-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzoic acid
CID 68945828
3-chloro-2-[3-methyl-5-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridine
CID 142577160
4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-phenylpyrazol-5-amine
CID 103596010
2-bromo-3-chloro-5-(trifluoromethyl)pyridine
CID 2736237
4-chloro-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-(difluoromethyl)pyrimidine
CID 103596060

Frequently Asked Questions

What is the IUPAC name of 6-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 6-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrimidine (CID 1476026) is 6-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 6-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 6-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrimidine is FC(F)(F)c1cnc(-c2cnc3ncnn3c2)c(Cl)c1.
What is the InChIKey of 6-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is LLFODWHINCIJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5ClF3N5/c12-8-1-7(11(13,14)15)3-16-9(8)6-2-17-10-18-5-19-20(10)4-6/h1-5H.
What are the key properties of 6-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrimidine?
6-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 299.64 g/mol, XLogP of 2.86, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 1476026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).