5-(3-methylnaphthalen-2-yl)-3-methylsulfanyl-1,2,4-triazine

C15H13N3S — CID 118473829

IUPAC5-(3-methylnaphthalen-2-yl)-3-methylsulfanyl-1,2,4-triazine
SMILESCSc1nncc(-c2cc3ccccc3cc2C)n1
InChIInChI=1S/C15H13N3S/c1-10-7-11-5-3-4-6-12(11)8-13(10)14-9-16-18-15(17-14)19-2/h3-9H,1-2H3
InChIKeyYYUTXXBPQMPHON-UHFFFAOYSA-N
MW267.36 g/mol
LogP3.72
Rot. Bonds2

About 5-(3-methylnaphthalen-2-yl)-3-methylsulfanyl-1,2,4-triazine

5-(3-methylnaphthalen-2-yl)-3-methylsulfanyl-1,2,4-triazine (PubChem CID 118473829) has the molecular formula C15H13N3S and a molecular weight of 267.36 g/mol. Its IUPAC name is 5-(3-methylnaphthalen-2-yl)-3-methylsulfanyl-1,2,4-triazine.

Molecular Properties

Compound Name5-(3-methylnaphthalen-2-yl)-3-methylsulfanyl-1,2,4-triazine
PubChem CID118473829
Molecular FormulaC15H13N3S
Molecular Weight267.36 g/mol
Exact Mass267.08
IUPAC Name5-(3-methylnaphthalen-2-yl)-3-methylsulfanyl-1,2,4-triazine
SMILESCSc1nncc(-c2cc3ccccc3cc2C)n1
InChIInChI=1S/C15H13N3S/c1-10-7-11-5-3-4-6-12(11)8-13(10)14-9-16-18-15(17-14)19-2/h3-9H,1-2H3
InChIKeyYYUTXXBPQMPHON-UHFFFAOYSA-N
XLogP3.72
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methylnaphthalen-2-yl)-3-methylsulfanyl-1,2,4-triazine?
The IUPAC name of 5-(3-methylnaphthalen-2-yl)-3-methylsulfanyl-1,2,4-triazine (CID 118473829) is 5-(3-methylnaphthalen-2-yl)-3-methylsulfanyl-1,2,4-triazine.
What is the SMILES notation for 5-(3-methylnaphthalen-2-yl)-3-methylsulfanyl-1,2,4-triazine?
The canonical SMILES for 5-(3-methylnaphthalen-2-yl)-3-methylsulfanyl-1,2,4-triazine is CSc1nncc(-c2cc3ccccc3cc2C)n1.
What is the InChIKey of 5-(3-methylnaphthalen-2-yl)-3-methylsulfanyl-1,2,4-triazine?
The InChIKey is YYUTXXBPQMPHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3S/c1-10-7-11-5-3-4-6-12(11)8-13(10)14-9-16-18-15(17-14)19-2/h3-9H,1-2H3.
What are the key properties of 5-(3-methylnaphthalen-2-yl)-3-methylsulfanyl-1,2,4-triazine?
5-(3-methylnaphthalen-2-yl)-3-methylsulfanyl-1,2,4-triazine has a molecular weight of 267.36 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylnaphthalen-2-yl)-3-methylsulfanyl-1,2,4-triazine is sourced from PubChem (CID 118473829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).