5-methyl-3-methylsulfanyl-1,2,4-triazine

C5H7N3S — CID 12503454

IUPAC5-methyl-3-methylsulfanyl-1,2,4-triazine
SMILESCSc1nncc(C)n1
InChIInChI=1S/C5H7N3S/c1-4-3-6-8-5(7-4)9-2/h3H,1-2H3
InChIKeyXIMYORHJBOQKDO-UHFFFAOYSA-N
MW141.20 g/mol
LogP0.90
Rot. Bonds1

About 5-methyl-3-methylsulfanyl-1,2,4-triazine

5-methyl-3-methylsulfanyl-1,2,4-triazine (PubChem CID 12503454) has the molecular formula C5H7N3S and a molecular weight of 141.20 g/mol. Its IUPAC name is 5-methyl-3-methylsulfanyl-1,2,4-triazine.

Molecular Properties

Compound Name5-methyl-3-methylsulfanyl-1,2,4-triazine
PubChem CID12503454
Molecular FormulaC5H7N3S
Molecular Weight141.20 g/mol
Exact Mass141.04
IUPAC Name5-methyl-3-methylsulfanyl-1,2,4-triazine
SMILESCSc1nncc(C)n1
InChIInChI=1S/C5H7N3S/c1-4-3-6-8-5(7-4)9-2/h3H,1-2H3
InChIKeyXIMYORHJBOQKDO-UHFFFAOYSA-N
XLogP0.90
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.20
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-methylsulfanyl-1,2,4-triazine?
The IUPAC name of 5-methyl-3-methylsulfanyl-1,2,4-triazine (CID 12503454) is 5-methyl-3-methylsulfanyl-1,2,4-triazine.
What is the SMILES notation for 5-methyl-3-methylsulfanyl-1,2,4-triazine?
The canonical SMILES for 5-methyl-3-methylsulfanyl-1,2,4-triazine is CSc1nncc(C)n1.
What is the InChIKey of 5-methyl-3-methylsulfanyl-1,2,4-triazine?
The InChIKey is XIMYORHJBOQKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3S/c1-4-3-6-8-5(7-4)9-2/h3H,1-2H3.
What are the key properties of 5-methyl-3-methylsulfanyl-1,2,4-triazine?
5-methyl-3-methylsulfanyl-1,2,4-triazine has a molecular weight of 141.20 g/mol, XLogP of 0.90, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-methylsulfanyl-1,2,4-triazine is sourced from PubChem (CID 12503454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).