5-amino-1-naphthalen-1-yl-1,2,4-triazolidine-3-thione

C12H12N4S — CID 170452906

IUPAC5-amino-1-naphthalen-1-yl-1,2,4-triazolidine-3-thione
SMILESNC1NC(=S)NN1c1cccc2ccccc12
InChIInChI=1S/C12H12N4S/c13-11-14-12(17)15-16(11)10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11H,13H2,(H2,14,15,17)
InChIKeyWDENASNWKSNPNG-UHFFFAOYSA-N
MW244.32 g/mol
LogP1.28
Rot. Bonds1

About 5-amino-1-naphthalen-1-yl-1,2,4-triazolidine-3-thione

5-amino-1-naphthalen-1-yl-1,2,4-triazolidine-3-thione (PubChem CID 170452906) has the molecular formula C12H12N4S and a molecular weight of 244.32 g/mol. Its IUPAC name is 5-amino-1-naphthalen-1-yl-1,2,4-triazolidine-3-thione.

Molecular Properties

Compound Name5-amino-1-naphthalen-1-yl-1,2,4-triazolidine-3-thione
PubChem CID170452906
Molecular FormulaC12H12N4S
Molecular Weight244.32 g/mol
Exact Mass244.08
IUPAC Name5-amino-1-naphthalen-1-yl-1,2,4-triazolidine-3-thione
SMILESNC1NC(=S)NN1c1cccc2ccccc12
InChIInChI=1S/C12H12N4S/c13-11-14-12(17)15-16(11)10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11H,13H2,(H2,14,15,17)
InChIKeyWDENASNWKSNPNG-UHFFFAOYSA-N
XLogP1.28
TPSA53.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

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3-naphthalen-1-yl-1H-benzimidazole-2-thione
CID 29067678
N-(4-methoxyphenyl)-2-naphthalen-1-ylpyrazolidin-3-amine
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4-hydroxy-3-naphthalen-1-yl-1H-imidazole-2-thione
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2-[(4S)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]acetic acid
CID 91641286
5,5-dimethyl-1-naphthalen-1-yl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 101253914
2-ethenyl-1-naphthalen-1-ylpyrrolidine
CID 164888024
(2S)-1-naphthalen-1-yl-2-(trifluoromethyl)pyrrolidine
CID 86337138
2-naphthalen-1-yltriazole
CID 57075336
4-amino-3-naphthalen-1-yl-2-sulfanylidene-1H-imidazole-5-carboxamide
CID 19576977
3,6-dimethyl-1-naphthalen-1-ylpiperazine-2,5-dione
CID 64956433

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-naphthalen-1-yl-1,2,4-triazolidine-3-thione?
The IUPAC name of 5-amino-1-naphthalen-1-yl-1,2,4-triazolidine-3-thione (CID 170452906) is 5-amino-1-naphthalen-1-yl-1,2,4-triazolidine-3-thione.
What is the SMILES notation for 5-amino-1-naphthalen-1-yl-1,2,4-triazolidine-3-thione?
The canonical SMILES for 5-amino-1-naphthalen-1-yl-1,2,4-triazolidine-3-thione is NC1NC(=S)NN1c1cccc2ccccc12.
What is the InChIKey of 5-amino-1-naphthalen-1-yl-1,2,4-triazolidine-3-thione?
The InChIKey is WDENASNWKSNPNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4S/c13-11-14-12(17)15-16(11)10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11H,13H2,(H2,14,15,17).
What are the key properties of 5-amino-1-naphthalen-1-yl-1,2,4-triazolidine-3-thione?
5-amino-1-naphthalen-1-yl-1,2,4-triazolidine-3-thione has a molecular weight of 244.32 g/mol, XLogP of 1.28, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-naphthalen-1-yl-1,2,4-triazolidine-3-thione is sourced from PubChem (CID 170452906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).