6-benzylsulfanyl-5-methyl-1,2,4-triazine

C11H11N3S — CID 13433503

IUPAC6-benzylsulfanyl-5-methyl-1,2,4-triazine
SMILESCc1ncnnc1SCc1ccccc1
InChIInChI=1S/C11H11N3S/c1-9-11(14-13-8-12-9)15-7-10-5-3-2-4-6-10/h2-6,8H,7H2,1H3
InChIKeyRSXORMTWVUKSSZ-UHFFFAOYSA-N
MW217.30 g/mol
LogP2.47
Rot. Bonds3

About 6-benzylsulfanyl-5-methyl-1,2,4-triazine

6-benzylsulfanyl-5-methyl-1,2,4-triazine (PubChem CID 13433503) has the molecular formula C11H11N3S and a molecular weight of 217.30 g/mol. Its IUPAC name is 6-benzylsulfanyl-5-methyl-1,2,4-triazine.

Molecular Properties

Compound Name6-benzylsulfanyl-5-methyl-1,2,4-triazine
PubChem CID13433503
Molecular FormulaC11H11N3S
Molecular Weight217.30 g/mol
Exact Mass217.07
IUPAC Name6-benzylsulfanyl-5-methyl-1,2,4-triazine
SMILESCc1ncnnc1SCc1ccccc1
InChIInChI=1S/C11H11N3S/c1-9-11(14-13-8-12-9)15-7-10-5-3-2-4-6-10/h2-6,8H,7H2,1H3
InChIKeyRSXORMTWVUKSSZ-UHFFFAOYSA-N
XLogP2.47
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.30
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-benzylsulfanyl-5-methylpyrimidin-2-amine
CID 80884331
5-benzylsulfanyl-4-chloro-3-methylsulfanylpyridazine
CID 121000621
6-benzylsulfanyl-5-ethylpyrimidin-4-amine
CID 80884151
4-benzylsulfanyl-6-chloro-2,5-dimethylpyrimidine
CID 63731221
2-benzylsulfanyl-6-chloro-3-methylpyridine
CID 139389202
2-benzylsulfanyl-4,6-dimethylpyrimidin-5-ol
CID 14884312
2-benzylsulfanyl-4-methylpyridine-3-carbonitrile
CID 5213146
2-benzylsulfanylpyridine-3-carbaldehyde
CID 4531915
5-benzylsulfanyl-6-methylpyridine-3-carbonitrile
CID 164593780
6-benzylsulfanyl-5-propylpyrimidin-4-amine
CID 80887991
2-benzylsulfanyl-5-methylpyridin-4-amine
CID 83269253
4,7-bis(benzylsulfanyl)-[1,3]thiazolo[4,5-d]pyridazine
CID 6406876

Frequently Asked Questions

What is the IUPAC name of 6-benzylsulfanyl-5-methyl-1,2,4-triazine?
The IUPAC name of 6-benzylsulfanyl-5-methyl-1,2,4-triazine (CID 13433503) is 6-benzylsulfanyl-5-methyl-1,2,4-triazine.
What is the SMILES notation for 6-benzylsulfanyl-5-methyl-1,2,4-triazine?
The canonical SMILES for 6-benzylsulfanyl-5-methyl-1,2,4-triazine is Cc1ncnnc1SCc1ccccc1.
What is the InChIKey of 6-benzylsulfanyl-5-methyl-1,2,4-triazine?
The InChIKey is RSXORMTWVUKSSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3S/c1-9-11(14-13-8-12-9)15-7-10-5-3-2-4-6-10/h2-6,8H,7H2,1H3.
What are the key properties of 6-benzylsulfanyl-5-methyl-1,2,4-triazine?
6-benzylsulfanyl-5-methyl-1,2,4-triazine has a molecular weight of 217.30 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzylsulfanyl-5-methyl-1,2,4-triazine is sourced from PubChem (CID 13433503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).