5-chloro-6-ethoxy-3-methylsulfanyl-1,2,4-triazine

C6H8ClN3OS — CID 142632166

IUPAC5-chloro-6-ethoxy-3-methylsulfanyl-1,2,4-triazine
SMILESCCOc1nnc(SC)nc1Cl
InChIInChI=1S/C6H8ClN3OS/c1-3-11-5-4(7)8-6(12-2)10-9-5/h3H2,1-2H3
InChIKeyQSCXIRFQSJJILC-UHFFFAOYSA-N
MW205.67 g/mol
LogP1.65
Rot. Bonds3

About 5-chloro-6-ethoxy-3-methylsulfanyl-1,2,4-triazine

5-chloro-6-ethoxy-3-methylsulfanyl-1,2,4-triazine (PubChem CID 142632166) has the molecular formula C6H8ClN3OS and a molecular weight of 205.67 g/mol. Its IUPAC name is 5-chloro-6-ethoxy-3-methylsulfanyl-1,2,4-triazine.

Molecular Properties

Compound Name5-chloro-6-ethoxy-3-methylsulfanyl-1,2,4-triazine
PubChem CID142632166
Molecular FormulaC6H8ClN3OS
Molecular Weight205.67 g/mol
Exact Mass205.01
IUPAC Name5-chloro-6-ethoxy-3-methylsulfanyl-1,2,4-triazine
SMILESCCOc1nnc(SC)nc1Cl
InChIInChI=1S/C6H8ClN3OS/c1-3-11-5-4(7)8-6(12-2)10-9-5/h3H2,1-2H3
InChIKeyQSCXIRFQSJJILC-UHFFFAOYSA-N
XLogP1.65
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.67
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3,6-dichloro-5-ethoxy-1,2,4-triazine
CID 81037904
ethyl 3-(4-chloro-2-methylsulfanylpyrimidin-5-yl)-3-oxopropanoate
CID 11086989
4,6-dichloro-5-methoxy-2-methylsulfanylpyrimidine
CID 15003627
6-(4-ethoxyphenyl)-5-(4-methoxyphenyl)-3-methylsulfanyl-1,2,4-triazine
CID 20549290
ethane;ethyl 1-(4-chloro-2-methylsulfanylpyrimidin-5-yl)cyclopropane-1-carboxylate
CID 176918998
2-(4-chloro-2-methylsulfanylpyrimidin-5-yl)ethanamine
CID 83852150
(4-chloro-6-methoxy-2-methylsulfanylpyrimidin-5-yl)methanol
CID 130899452
4-chloro-2-ethoxy-5-fluoropyrimidine
CID 2762962
6-chloro-5-ethyl-2-methylsulfanylpyrimidin-4-amine
CID 71303951
3-chloro-2-ethoxy-6-fluoropyridine
CID 53439486
1-(4-chloro-2-methylsulfanylpyrimidin-5-yl)-2-methoxyethanone
CID 164933954
2-chloro-4-methylsulfanyl-6-propoxy-1,3,5-triazine
CID 62865803

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-ethoxy-3-methylsulfanyl-1,2,4-triazine?
The IUPAC name of 5-chloro-6-ethoxy-3-methylsulfanyl-1,2,4-triazine (CID 142632166) is 5-chloro-6-ethoxy-3-methylsulfanyl-1,2,4-triazine.
What is the SMILES notation for 5-chloro-6-ethoxy-3-methylsulfanyl-1,2,4-triazine?
The canonical SMILES for 5-chloro-6-ethoxy-3-methylsulfanyl-1,2,4-triazine is CCOc1nnc(SC)nc1Cl.
What is the InChIKey of 5-chloro-6-ethoxy-3-methylsulfanyl-1,2,4-triazine?
The InChIKey is QSCXIRFQSJJILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClN3OS/c1-3-11-5-4(7)8-6(12-2)10-9-5/h3H2,1-2H3.
What are the key properties of 5-chloro-6-ethoxy-3-methylsulfanyl-1,2,4-triazine?
5-chloro-6-ethoxy-3-methylsulfanyl-1,2,4-triazine has a molecular weight of 205.67 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-ethoxy-3-methylsulfanyl-1,2,4-triazine is sourced from PubChem (CID 142632166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).