3-[3-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-5-naphthalen-2-ylphenyl]-5-methylpyridine

C26H22N4S — CID 146414496

IUPAC3-[3-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-5-naphthalen-2-ylphenyl]-5-methylpyridine
SMILESCCSc1n[nH]c(-c2cc(-c3cncc(C)c3)cc(-c3ccc4ccccc4c3)c2)n1
InChIInChI=1S/C26H22N4S/c1-3-31-26-28-25(29-30-26)23-13-21(12-22(14-23)24-10-17(2)15-27-16-24)20-9-8-18-6-4-5-7-19(18)11-20/h4-16H,3H2,1-2H3,(H,28,29,30)
InChIKeyNZEKKECEPDNRET-UHFFFAOYSA-N
MW422.56 g/mol
LogP6.77
Rot. Bonds5

About 3-[3-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-5-naphthalen-2-ylphenyl]-5-methylpyridine

3-[3-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-5-naphthalen-2-ylphenyl]-5-methylpyridine (PubChem CID 146414496) has the molecular formula C26H22N4S and a molecular weight of 422.56 g/mol. Its IUPAC name is 3-[3-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-5-naphthalen-2-ylphenyl]-5-methylpyridine.

Molecular Properties

Compound Name3-[3-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-5-naphthalen-2-ylphenyl]-5-methylpyridine
PubChem CID146414496
Molecular FormulaC26H22N4S
Molecular Weight422.56 g/mol
Exact Mass422.16
IUPAC Name3-[3-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-5-naphthalen-2-ylphenyl]-5-methylpyridine
SMILESCCSc1n[nH]c(-c2cc(-c3cncc(C)c3)cc(-c3ccc4ccccc4c3)c2)n1
InChIInChI=1S/C26H22N4S/c1-3-31-26-28-25(29-30-26)23-13-21(12-22(14-23)24-10-17(2)15-27-16-24)20-9-8-18-6-4-5-7-19(18)11-20/h4-16H,3H2,1-2H3,(H,28,29,30)
InChIKeyNZEKKECEPDNRET-UHFFFAOYSA-N
XLogP6.77
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.56
LogP ≤ 56.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[3-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-5-naphthalen-2-ylphenyl]-5-methylpyridine with MolForge

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Related Compounds

2-[[5-(3-naphthalen-2-yl-5-pyridin-3-ylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 118478276
2-[[5-(3-bromo-5-naphthalen-2-ylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 118478280
2-[[5-[3-(1,3-dimethylpyrazol-4-yl)-5-naphthalen-2-ylphenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 118478229
3-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-N-methoxy-5-quinolin-6-ylaniline
CID 144951817
3-ethylsulfanyl-5-(4-methoxyphenyl)-1H-1,2,4-triazole
CID 7896768
3-methyl-5-[4-[10-[4-(5-methyl-3-pyridinyl)phenyl]-2-naphthalen-2-ylanthracen-9-yl]phenyl]pyridine
CID 122642404
2-[[5-[3-(furan-2-carbonylamino)-5-naphthalen-2-ylphenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 118478257
5-(5-methyl-3-pyridinyl)-1H-pyrazol-3-amine
CID 65438735
5-(4-methylphenyl)-3-(2-phenoxyethylsulfanyl)-1H-1,2,4-triazole
CID 7557018
5-(3-methylphenyl)-3-(2-methylpropylsulfanyl)-1H-1,2,4-triazole
CID 834033
2-[3-(4-methylphenyl)-5-(4-phenylphenyl)phenyl]naphthalene
CID 156673302
3-[(2-chlorophenyl)methylsulfanyl]-5-(4-methylphenyl)-1H-1,2,4-triazole
CID 5030402

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-5-naphthalen-2-ylphenyl]-5-methylpyridine?
The IUPAC name of 3-[3-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-5-naphthalen-2-ylphenyl]-5-methylpyridine (CID 146414496) is 3-[3-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-5-naphthalen-2-ylphenyl]-5-methylpyridine.
What is the SMILES notation for 3-[3-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-5-naphthalen-2-ylphenyl]-5-methylpyridine?
The canonical SMILES for 3-[3-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-5-naphthalen-2-ylphenyl]-5-methylpyridine is CCSc1n[nH]c(-c2cc(-c3cncc(C)c3)cc(-c3ccc4ccccc4c3)c2)n1.
What is the InChIKey of 3-[3-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-5-naphthalen-2-ylphenyl]-5-methylpyridine?
The InChIKey is NZEKKECEPDNRET-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4S/c1-3-31-26-28-25(29-30-26)23-13-21(12-22(14-23)24-10-17(2)15-27-16-24)20-9-8-18-6-4-5-7-19(18)11-20/h4-16H,3H2,1-2H3,(H,28,29,30).
What are the key properties of 3-[3-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-5-naphthalen-2-ylphenyl]-5-methylpyridine?
3-[3-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-5-naphthalen-2-ylphenyl]-5-methylpyridine has a molecular weight of 422.56 g/mol, XLogP of 6.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-5-naphthalen-2-ylphenyl]-5-methylpyridine is sourced from PubChem (CID 146414496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).