3-methyl-5-methylsulfanyl-4-naphthalen-1-yl-1,2,4-triazole

C14H13N3S — CID 163991724

IUPAC3-methyl-5-methylsulfanyl-4-naphthalen-1-yl-1,2,4-triazole
SMILESCSc1nnc(C)n1-c1cccc2ccccc12
InChIInChI=1S/C14H13N3S/c1-10-15-16-14(18-2)17(10)13-9-5-7-11-6-3-4-8-12(11)13/h3-9H,1-2H3
InChIKeyUBEYRVUZNHREDE-UHFFFAOYSA-N
MW255.35 g/mol
LogP3.45
Rot. Bonds2

About 3-methyl-5-methylsulfanyl-4-naphthalen-1-yl-1,2,4-triazole

3-methyl-5-methylsulfanyl-4-naphthalen-1-yl-1,2,4-triazole (PubChem CID 163991724) has the molecular formula C14H13N3S and a molecular weight of 255.35 g/mol. Its IUPAC name is 3-methyl-5-methylsulfanyl-4-naphthalen-1-yl-1,2,4-triazole.

Molecular Properties

Compound Name3-methyl-5-methylsulfanyl-4-naphthalen-1-yl-1,2,4-triazole
PubChem CID163991724
Molecular FormulaC14H13N3S
Molecular Weight255.35 g/mol
Exact Mass255.08
IUPAC Name3-methyl-5-methylsulfanyl-4-naphthalen-1-yl-1,2,4-triazole
SMILESCSc1nnc(C)n1-c1cccc2ccccc12
InChIInChI=1S/C14H13N3S/c1-10-15-16-14(18-2)17(10)13-9-5-7-11-6-3-4-8-12(11)13/h3-9H,1-2H3
InChIKeyUBEYRVUZNHREDE-UHFFFAOYSA-N
XLogP3.45
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethyl-4-naphthalen-1-yl-1,2,4-triazole
CID 91542919
5-methyl-2-methylsulfanyl-1-naphthalen-1-ylimidazole
CID 59225916
3-methyl-4-naphthalen-1-yl-5-naphthalen-2-yl-1,2,4-triazole
CID 58240216
N-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)naphthalene-1-carboxamide
CID 5011556
2-[[5-methyl-4-(4-methylnaphthalen-1-yl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 58491085
2-[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-naphthalen-1-ylethyl)acetamide
CID 46608257
2-[(5-methyl-4-quinolin-5-yl-1,2,4-triazol-3-yl)sulfanyl]acetic acid
CID 29074546
3-[(4-fluorophenyl)methylsulfanyl]-5-methyl-4-(2-methylphenyl)-1,2,4-triazole
CID 7207739
2-[(5-bromo-4-naphthalen-1-yl-1,2,4-triazol-3-yl)sulfanyl]-2-methylpropane-1,1-diol
CID 69167138
CID 67212686
CID 67212686
3-[1-(2,6-difluorophenyl)ethylsulfanyl]-5-methyl-4-(2-methylphenyl)-1,2,4-triazole
CID 60513527
N-benzyl-2-[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 2544085

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-methylsulfanyl-4-naphthalen-1-yl-1,2,4-triazole?
The IUPAC name of 3-methyl-5-methylsulfanyl-4-naphthalen-1-yl-1,2,4-triazole (CID 163991724) is 3-methyl-5-methylsulfanyl-4-naphthalen-1-yl-1,2,4-triazole.
What is the SMILES notation for 3-methyl-5-methylsulfanyl-4-naphthalen-1-yl-1,2,4-triazole?
The canonical SMILES for 3-methyl-5-methylsulfanyl-4-naphthalen-1-yl-1,2,4-triazole is CSc1nnc(C)n1-c1cccc2ccccc12.
What is the InChIKey of 3-methyl-5-methylsulfanyl-4-naphthalen-1-yl-1,2,4-triazole?
The InChIKey is UBEYRVUZNHREDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3S/c1-10-15-16-14(18-2)17(10)13-9-5-7-11-6-3-4-8-12(11)13/h3-9H,1-2H3.
What are the key properties of 3-methyl-5-methylsulfanyl-4-naphthalen-1-yl-1,2,4-triazole?
3-methyl-5-methylsulfanyl-4-naphthalen-1-yl-1,2,4-triazole has a molecular weight of 255.35 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-methylsulfanyl-4-naphthalen-1-yl-1,2,4-triazole is sourced from PubChem (CID 163991724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).