4-[5-[(2-ethoxyphenyl)methylsulfanyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]pyridine

C19H22N4O2S — CID 55317600

IUPAC4-[5-[(2-ethoxyphenyl)methylsulfanyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]pyridine
SMILESCCOc1ccccc1CSc1nnc(-c2ccncc2)n1CCOC
InChIInChI=1S/C19H22N4O2S/c1-3-25-17-7-5-4-6-16(17)14-26-19-22-21-18(23(19)12-13-24-2)15-8-10-20-11-9-15/h4-11H,3,12-14H2,1-2H3
InChIKeyNONCDPSHINUGBA-UHFFFAOYSA-N
MW370.48 g/mol
LogP3.68
Rot. Bonds9

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

4-[5-[(2-ethoxyphenyl)methylsulfanyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]pyridine (PubChem CID 55317600) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is 4-[5-[(2-ethoxyphenyl)methylsulfanyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]pyridine.

Molecular Properties

Compound Name4-[5-[(2-ethoxyphenyl)methylsulfanyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]pyridine
PubChem CID55317600
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC Name4-[5-[(2-ethoxyphenyl)methylsulfanyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]pyridine
SMILESCCOc1ccccc1CSc1nnc(-c2ccncc2)n1CCOC
InChIInChI=1S/C19H22N4O2S/c1-3-25-17-7-5-4-6-16(17)14-26-19-22-21-18(23(19)12-13-24-2)15-8-10-20-11-9-15/h4-11H,3,12-14H2,1-2H3
InChIKeyNONCDPSHINUGBA-UHFFFAOYSA-N
XLogP3.68
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[4-(2-methoxyethyl)-5-(naphthalen-1-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine
CID 33030387
3-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]pyridine
CID 23969470
4-[4-(4-chlorophenyl)-5-[(2-ethoxyphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine
CID 112780241
4-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]pyridine
CID 3757954
4-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole
CID 17401757
4-[5-[(3,4-dichlorophenyl)methylsulfanyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]pyridine
CID 34278743
4-[4-(2-methoxyethyl)-5-(2-methylprop-2-enylsulfanyl)-1,2,4-triazol-3-yl]pyridine
CID 47095776
5-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-methyl-1,2-oxazole
CID 24580256
4-[4-(2-methoxyethyl)-5-propan-2-ylsulfanyl-1,2,4-triazol-3-yl]pyridine
CID 47095779
2-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
CID 3181210
4-[5-[(2-bromophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]pyridine
CID 51173024
4-[5-[[2-(difluoromethoxy)phenyl]methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]pyridine
CID 18141802

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(2-ethoxyphenyl)methylsulfanyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]pyridine?
The IUPAC name of 4-[5-[(2-ethoxyphenyl)methylsulfanyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]pyridine (CID 55317600) is 4-[5-[(2-ethoxyphenyl)methylsulfanyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]pyridine.
What is the SMILES notation for 4-[5-[(2-ethoxyphenyl)methylsulfanyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]pyridine?
The canonical SMILES for 4-[5-[(2-ethoxyphenyl)methylsulfanyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]pyridine is CCOc1ccccc1CSc1nnc(-c2ccncc2)n1CCOC.
What is the InChIKey of 4-[5-[(2-ethoxyphenyl)methylsulfanyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]pyridine?
The InChIKey is NONCDPSHINUGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2S/c1-3-25-17-7-5-4-6-16(17)14-26-19-22-21-18(23(19)12-13-24-2)15-8-10-20-11-9-15/h4-11H,3,12-14H2,1-2H3.
What are the key properties of 4-[5-[(2-ethoxyphenyl)methylsulfanyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]pyridine?
4-[5-[(2-ethoxyphenyl)methylsulfanyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]pyridine has a molecular weight of 370.48 g/mol, XLogP of 3.68, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(2-ethoxyphenyl)methylsulfanyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]pyridine is sourced from PubChem (CID 55317600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).