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

C16H14Cl2N4S — CID 21371512

IUPAC4-[5-[(3,4-dichlorophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]pyridine
SMILESCCn1c(SCc2ccc(Cl)c(Cl)c2)nnc1-c1ccncc1
InChIInChI=1S/C16H14Cl2N4S/c1-2-22-15(12-5-7-19-8-6-12)20-21-16(22)23-10-11-3-4-13(17)14(18)9-11/h3-9H,2,10H2,1H3
InChIKeyPZYVBFQXTNYSAR-UHFFFAOYSA-N
MW365.29 g/mol
LogP4.96
Rot. Bonds5

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

4-[5-[(3,4-dichlorophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]pyridine (PubChem CID 21371512) has the molecular formula C16H14Cl2N4S and a molecular weight of 365.29 g/mol. Its IUPAC name is 4-[5-[(3,4-dichlorophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]pyridine.

Molecular Properties

Compound Name4-[5-[(3,4-dichlorophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]pyridine
PubChem CID21371512
Molecular FormulaC16H14Cl2N4S
Molecular Weight365.29 g/mol
Exact Mass364.03
IUPAC Name4-[5-[(3,4-dichlorophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]pyridine
SMILESCCn1c(SCc2ccc(Cl)c(Cl)c2)nnc1-c1ccncc1
InChIInChI=1S/C16H14Cl2N4S/c1-2-22-15(12-5-7-19-8-6-12)20-21-16(22)23-10-11-3-4-13(17)14(18)9-11/h3-9H,2,10H2,1H3
InChIKeyPZYVBFQXTNYSAR-UHFFFAOYSA-N
XLogP4.96
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.29
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3,4-dichlorophenyl)methylsulfanyl]-4-ethyl-5-(4-methylphenyl)-1,2,4-triazole
CID 2039161
4-[5-[(3,4-dimethylphenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]pyridine
CID 936676
3-[5-[(3,4-dichlorophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]pyridine
CID 17269496
4-[5-[(3,4-dichlorophenyl)methylsulfanyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]pyridine
CID 34278743
2-chloro-5-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine
CID 38862897
3-[(3,4-dichlorophenyl)methylsulfanyl]-4-ethyl-5-[4-(2-methylpropoxy)phenyl]-1,2,4-triazole
CID 17302257
3-[(3-chlorophenyl)methylsulfanyl]-5-(3,4-dichlorophenyl)-4-ethyl-1,2,4-triazole
CID 17383820
3-(5-chlorothiophen-2-yl)-5-[(3,4-dichlorophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazole
CID 57475370
4-[5-[(3,4-dichlorophenyl)methylsulfanyl]-4-(3-methylphenyl)-1,2,4-triazol-3-yl]pyridine
CID 126111937
3-[(3,4-dichlorophenyl)methylsulfanyl]-4-ethyl-5-[5-methyl-4-(4-methylphenyl)thiophen-3-yl]-1,2,4-triazole
CID 19642863
3-(3-chloro-4-methylphenyl)-4-ethyl-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazole
CID 21371423
4-[5-[(2-bromophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]pyridine
CID 51173024

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(3,4-dichlorophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]pyridine?
The IUPAC name of 4-[5-[(3,4-dichlorophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]pyridine (CID 21371512) is 4-[5-[(3,4-dichlorophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]pyridine.
What is the SMILES notation for 4-[5-[(3,4-dichlorophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]pyridine?
The canonical SMILES for 4-[5-[(3,4-dichlorophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]pyridine is CCn1c(SCc2ccc(Cl)c(Cl)c2)nnc1-c1ccncc1.
What is the InChIKey of 4-[5-[(3,4-dichlorophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]pyridine?
The InChIKey is PZYVBFQXTNYSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N4S/c1-2-22-15(12-5-7-19-8-6-12)20-21-16(22)23-10-11-3-4-13(17)14(18)9-11/h3-9H,2,10H2,1H3.
What are the key properties of 4-[5-[(3,4-dichlorophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]pyridine?
4-[5-[(3,4-dichlorophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]pyridine has a molecular weight of 365.29 g/mol, XLogP of 4.96, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(3,4-dichlorophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]pyridine is sourced from PubChem (CID 21371512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).