7-[(1R)-1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine

C13H9ClF3N5S — CID 7035346

IUPAC7-[(1R)-1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESC[C@@H](Sc1ncc(C(F)(F)F)cc1Cl)c1ccnc2ncnn12
InChIInChI=1S/C13H9ClF3N5S/c1-7(10-2-3-18-12-20-6-21-22(10)12)23-11-9(14)4-8(5-19-11)13(15,16)17/h2-7H,1H3/t7-/m1/s1
InChIKeyQTUSYICJLREMNY-SSDOTTSWSA-N
MW359.76 g/mol
LogP4.04
Rot. Bonds3

About 7-[(1R)-1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine

7-[(1R)-1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 7035346) has the molecular formula C13H9ClF3N5S and a molecular weight of 359.76 g/mol. Its IUPAC name is 7-[(1R)-1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-[(1R)-1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID7035346
Molecular FormulaC13H9ClF3N5S
Molecular Weight359.76 g/mol
Exact Mass359.02
IUPAC Name7-[(1R)-1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESC[C@@H](Sc1ncc(C(F)(F)F)cc1Cl)c1ccnc2ncnn12
InChIInChI=1S/C13H9ClF3N5S/c1-7(10-2-3-18-12-20-6-21-22(10)12)23-11-9(14)4-8(5-19-11)13(15,16)17/h2-7H,1H3/t7-/m1/s1
InChIKeyQTUSYICJLREMNY-SSDOTTSWSA-N
XLogP4.04
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.76
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-[(1R)-1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine with MolForge

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Related Compounds

2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-7-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 1471178
ethyl 2-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-3-phenylpropanoate
CID 3392207
3-chloro-2-(1-phenylimidazol-2-yl)sulfanyl-5-(trifluoromethyl)pyridine
CID 1474303
3-chloro-2-ethylsulfanyl-5-(trifluoromethyl)pyridine
CID 112776146
1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-2-methylpropan-2-ol
CID 86777244
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-2-methylpropanoic acid
CID 81231058
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(2-methylphenyl)propanamide
CID 4856563
(2S)-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one
CID 2548045
2-[(1R)-1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]-5-(furan-2-yl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 40880777
N-[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propyl]-2-methylpropan-1-amine
CID 62578481
4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methylsulfanylpyrimidine
CID 71628469
6-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 1476026

Frequently Asked Questions

What is the IUPAC name of 7-[(1R)-1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-[(1R)-1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine (CID 7035346) is 7-[(1R)-1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-[(1R)-1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-[(1R)-1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine is C[C@@H](Sc1ncc(C(F)(F)F)cc1Cl)c1ccnc2ncnn12.
What is the InChIKey of 7-[(1R)-1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is QTUSYICJLREMNY-SSDOTTSWSA-N. The full InChI is InChI=1S/C13H9ClF3N5S/c1-7(10-2-3-18-12-20-6-21-22(10)12)23-11-9(14)4-8(5-19-11)13(15,16)17/h2-7H,1H3/t7-/m1/s1.
What are the key properties of 7-[(1R)-1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine?
7-[(1R)-1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 359.76 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1R)-1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 7035346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).