5-naphthalen-2-ylsulfanyl-1H-1,2,4-triazole

C12H9N3S — CID 144779140

IUPAC5-naphthalen-2-ylsulfanyl-1H-1,2,4-triazole
SMILESc1ccc2cc(Sc3ncn[nH]3)ccc2c1
InChIInChI=1S/C12H9N3S/c1-2-4-10-7-11(6-5-9(10)3-1)16-12-13-8-14-15-12/h1-8H,(H,13,14,15)
InChIKeyRGMKWHFTKNUAIK-UHFFFAOYSA-N
MW227.29 g/mol
LogP3.11
Rot. Bonds2

About 5-naphthalen-2-ylsulfanyl-1H-1,2,4-triazole

5-naphthalen-2-ylsulfanyl-1H-1,2,4-triazole (PubChem CID 144779140) has the molecular formula C12H9N3S and a molecular weight of 227.29 g/mol. Its IUPAC name is 5-naphthalen-2-ylsulfanyl-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-naphthalen-2-ylsulfanyl-1H-1,2,4-triazole
PubChem CID144779140
Molecular FormulaC12H9N3S
Molecular Weight227.29 g/mol
Exact Mass227.05
IUPAC Name5-naphthalen-2-ylsulfanyl-1H-1,2,4-triazole
SMILESc1ccc2cc(Sc3ncn[nH]3)ccc2c1
InChIInChI=1S/C12H9N3S/c1-2-4-10-7-11(6-5-9(10)3-1)16-12-13-8-14-15-12/h1-8H,(H,13,14,15)
InChIKeyRGMKWHFTKNUAIK-UHFFFAOYSA-N
XLogP3.11
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-1,2,4-triazol-5-yl)naphthalene-2-sulfonamide
CID 965236
5-[(2-methylphenyl)methylsulfanyl]-1H-1,2,4-triazole
CID 2921228
5-[(1-naphthylmethyl)sulfanyl]-1H-1,2,4-triazole
CID 719016
5-(naphthalen-2-yldisulfanyl)-1H-1,2,4-triazole
CID 66561832
3-(diphenylmethylthio)-1H-1,2,4-triazole
CID 777641
1H-1,2,4-Triazole, 3-[(2-naphthalenylmethyl)thio]-
CID 9834676
3-[4-(Trifluoromethyl)phenylthio]-1,2,4-triazole
CID 22401460
5-[3-(trifluoromethyl)phenyl]sulfanyl-1H-1,2,4-triazole
CID 139682379
4-(1H-1,2,4-triazol-5-ylsulfanyl)-2-(trifluoromethyl)benzonitrile
CID 43138580
5-(1H-1,2,4-triazol-5-ylsulfanyl)-2-(trifluoromethyl)benzonitrile
CID 81545636
2-[4-(1H-1,2,4-triazol-5-ylsulfanyl)-2-(trifluoromethyl)phenyl]ethanamine
CID 81654299
5-[(2-methylnaphthalen-1-yl)methylsulfanyl]-1H-1,2,4-triazole
CID 685246

Frequently Asked Questions

What is the IUPAC name of 5-naphthalen-2-ylsulfanyl-1H-1,2,4-triazole?
The IUPAC name of 5-naphthalen-2-ylsulfanyl-1H-1,2,4-triazole (CID 144779140) is 5-naphthalen-2-ylsulfanyl-1H-1,2,4-triazole.
What is the SMILES notation for 5-naphthalen-2-ylsulfanyl-1H-1,2,4-triazole?
The canonical SMILES for 5-naphthalen-2-ylsulfanyl-1H-1,2,4-triazole is c1ccc2cc(Sc3ncn[nH]3)ccc2c1.
What is the InChIKey of 5-naphthalen-2-ylsulfanyl-1H-1,2,4-triazole?
The InChIKey is RGMKWHFTKNUAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3S/c1-2-4-10-7-11(6-5-9(10)3-1)16-12-13-8-14-15-12/h1-8H,(H,13,14,15).
What are the key properties of 5-naphthalen-2-ylsulfanyl-1H-1,2,4-triazole?
5-naphthalen-2-ylsulfanyl-1H-1,2,4-triazole has a molecular weight of 227.29 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-naphthalen-2-ylsulfanyl-1H-1,2,4-triazole is sourced from PubChem (CID 144779140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).