3-[4-ethyl-5-[(3-methoxy-4-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine

C18H20N4OS — CID 126839553

IUPAC3-[4-ethyl-5-[(3-methoxy-4-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine
SMILESCCn1c(SCc2ccc(C)c(OC)c2)nnc1-c1cccnc1
InChIInChI=1S/C18H20N4OS/c1-4-22-17(15-6-5-9-19-11-15)20-21-18(22)24-12-14-8-7-13(2)16(10-14)23-3/h5-11H,4,12H2,1-3H3
InChIKeyWQQVBXWRWAORCF-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.97
Rot. Bonds6

About 3-[4-ethyl-5-[(3-methoxy-4-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine

3-[4-ethyl-5-[(3-methoxy-4-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine (PubChem CID 126839553) has the molecular formula C18H20N4OS and a molecular weight of 340.45 g/mol. Its IUPAC name is 3-[4-ethyl-5-[(3-methoxy-4-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine.

Molecular Properties

Compound Name3-[4-ethyl-5-[(3-methoxy-4-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine
PubChem CID126839553
Molecular FormulaC18H20N4OS
Molecular Weight340.45 g/mol
Exact Mass340.14
IUPAC Name3-[4-ethyl-5-[(3-methoxy-4-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine
SMILESCCn1c(SCc2ccc(C)c(OC)c2)nnc1-c1cccnc1
InChIInChI=1S/C18H20N4OS/c1-4-22-17(15-6-5-9-19-11-15)20-21-18(22)24-12-14-8-7-13(2)16(10-14)23-3/h5-11H,4,12H2,1-3H3
InChIKeyWQQVBXWRWAORCF-UHFFFAOYSA-N
XLogP3.97
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[5-[(3,4-dichlorophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]pyridine
CID 17269496
3-[4-benzyl-5-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfanyl]-1,2,4-triazol-3-yl]pyridine
CID 32794171
4-[5-[(3,4-dimethylphenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]pyridine
CID 936676
3-[5-[(3-methoxyphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]pyridine
CID 6466318
4-ethyl-3-[(3-methoxyphenyl)methylsulfanyl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole
CID 19731265
3-[5-[(2,6-dichlorophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]pyridine
CID 2012503
3-[(4-chlorophenyl)methylsulfanyl]-4-ethyl-5-(3-methoxyphenyl)-1,2,4-triazole
CID 17381684
3-[5-[(2-chlorophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]pyridine
CID 865578
1-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-3-(4-methylphenyl)propan-2-one
CID 146945409
3-[(4-chlorophenyl)methylsulfanyl]-4-ethyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole
CID 17301882
2-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzamide
CID 83282745
3-[4-(4-bromophenyl)-5-[(3-methoxyphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine
CID 1419507

Frequently Asked Questions

What is the IUPAC name of 3-[4-ethyl-5-[(3-methoxy-4-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine?
The IUPAC name of 3-[4-ethyl-5-[(3-methoxy-4-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine (CID 126839553) is 3-[4-ethyl-5-[(3-methoxy-4-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine.
What is the SMILES notation for 3-[4-ethyl-5-[(3-methoxy-4-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine?
The canonical SMILES for 3-[4-ethyl-5-[(3-methoxy-4-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine is CCn1c(SCc2ccc(C)c(OC)c2)nnc1-c1cccnc1.
What is the InChIKey of 3-[4-ethyl-5-[(3-methoxy-4-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine?
The InChIKey is WQQVBXWRWAORCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4OS/c1-4-22-17(15-6-5-9-19-11-15)20-21-18(22)24-12-14-8-7-13(2)16(10-14)23-3/h5-11H,4,12H2,1-3H3.
What are the key properties of 3-[4-ethyl-5-[(3-methoxy-4-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine?
3-[4-ethyl-5-[(3-methoxy-4-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine has a molecular weight of 340.45 g/mol, XLogP of 3.97, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-ethyl-5-[(3-methoxy-4-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine is sourced from PubChem (CID 126839553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).