3,6-dichloro-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,2,4-triazine

C9H3Cl2F3N4S — CID 81038239

IUPAC3,6-dichloro-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,2,4-triazine
SMILESFC(F)(F)c1ccc(Sc2nc(Cl)nnc2Cl)nc1
InChIInChI=1S/C9H3Cl2F3N4S/c10-6-7(16-8(11)18-17-6)19-5-2-1-4(3-15-5)9(12,13)14/h1-3H
InChIKeyWMALTCVEGNPPDA-UHFFFAOYSA-N
MW327.12 g/mol
LogP3.74
Rot. Bonds2

About 3,6-dichloro-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,2,4-triazine

3,6-dichloro-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,2,4-triazine (PubChem CID 81038239) has the molecular formula C9H3Cl2F3N4S and a molecular weight of 327.12 g/mol. Its IUPAC name is 3,6-dichloro-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,2,4-triazine.

Molecular Properties

Compound Name3,6-dichloro-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,2,4-triazine
PubChem CID81038239
Molecular FormulaC9H3Cl2F3N4S
Molecular Weight327.12 g/mol
Exact Mass325.94
IUPAC Name3,6-dichloro-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,2,4-triazine
SMILESFC(F)(F)c1ccc(Sc2nc(Cl)nnc2Cl)nc1
InChIInChI=1S/C9H3Cl2F3N4S/c10-6-7(16-8(11)18-17-6)19-5-2-1-4(3-15-5)9(12,13)14/h1-3H
InChIKeyWMALTCVEGNPPDA-UHFFFAOYSA-N
XLogP3.74
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.12
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-5-fluoro-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidine
CID 79076312
2,3,5-trichloro-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridine
CID 102752250
2-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidine
CID 55065185
4-chloro-N-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,3,5-triazin-2-amine
CID 80882220
2-chloro-4-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidine
CID 55080424
3-chloro-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridine-4-carboxylic acid
CID 107063673
5-bromo-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidine
CID 66319385
2-chloro-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridine-4-carbonitrile
CID 83077019
5-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridin-3-amine
CID 66281341
2-chloro-5-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridine
CID 83268833
2-pyridin-4-yl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,3,4-oxadiazole
CID 17421438
N,5-dimethyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidin-4-amine
CID 80882858

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,2,4-triazine?
The IUPAC name of 3,6-dichloro-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,2,4-triazine (CID 81038239) is 3,6-dichloro-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,2,4-triazine.
What is the SMILES notation for 3,6-dichloro-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,2,4-triazine?
The canonical SMILES for 3,6-dichloro-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,2,4-triazine is FC(F)(F)c1ccc(Sc2nc(Cl)nnc2Cl)nc1.
What is the InChIKey of 3,6-dichloro-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,2,4-triazine?
The InChIKey is WMALTCVEGNPPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3Cl2F3N4S/c10-6-7(16-8(11)18-17-6)19-5-2-1-4(3-15-5)9(12,13)14/h1-3H.
What are the key properties of 3,6-dichloro-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,2,4-triazine?
3,6-dichloro-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,2,4-triazine has a molecular weight of 327.12 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,2,4-triazine is sourced from PubChem (CID 81038239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).