3-methylsulfanyl-5-naphthalen-1-yl-1,2,4-triazine

C14H11N3S — CID 3053055

IUPAC3-methylsulfanyl-5-naphthalen-1-yl-1,2,4-triazine
SMILESCSc1nncc(-c2cccc3ccccc23)n1
InChIInChI=1S/C14H11N3S/c1-18-14-16-13(9-15-17-14)12-8-4-6-10-5-2-3-7-11(10)12/h2-9H,1H3
InChIKeyRFANJLCAJKZNBS-UHFFFAOYSA-N
MW253.33 g/mol
LogP3.41
Rot. Bonds2

About 3-methylsulfanyl-5-naphthalen-1-yl-1,2,4-triazine

3-methylsulfanyl-5-naphthalen-1-yl-1,2,4-triazine (PubChem CID 3053055) has the molecular formula C14H11N3S and a molecular weight of 253.33 g/mol. Its IUPAC name is 3-methylsulfanyl-5-naphthalen-1-yl-1,2,4-triazine.

Molecular Properties

Compound Name3-methylsulfanyl-5-naphthalen-1-yl-1,2,4-triazine
PubChem CID3053055
Molecular FormulaC14H11N3S
Molecular Weight253.33 g/mol
Exact Mass253.07
IUPAC Name3-methylsulfanyl-5-naphthalen-1-yl-1,2,4-triazine
SMILESCSc1nncc(-c2cccc3ccccc23)n1
InChIInChI=1S/C14H11N3S/c1-18-14-16-13(9-15-17-14)12-8-4-6-10-5-2-3-7-11(10)12/h2-9H,1H3
InChIKeyRFANJLCAJKZNBS-UHFFFAOYSA-N
XLogP3.41
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyl-5-naphthalen-1-yl-1,2,4-triazine?
The IUPAC name of 3-methylsulfanyl-5-naphthalen-1-yl-1,2,4-triazine (CID 3053055) is 3-methylsulfanyl-5-naphthalen-1-yl-1,2,4-triazine.
What is the SMILES notation for 3-methylsulfanyl-5-naphthalen-1-yl-1,2,4-triazine?
The canonical SMILES for 3-methylsulfanyl-5-naphthalen-1-yl-1,2,4-triazine is CSc1nncc(-c2cccc3ccccc23)n1.
What is the InChIKey of 3-methylsulfanyl-5-naphthalen-1-yl-1,2,4-triazine?
The InChIKey is RFANJLCAJKZNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3S/c1-18-14-16-13(9-15-17-14)12-8-4-6-10-5-2-3-7-11(10)12/h2-9H,1H3.
What are the key properties of 3-methylsulfanyl-5-naphthalen-1-yl-1,2,4-triazine?
3-methylsulfanyl-5-naphthalen-1-yl-1,2,4-triazine has a molecular weight of 253.33 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-5-naphthalen-1-yl-1,2,4-triazine is sourced from PubChem (CID 3053055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).