2-[2-[[4-(2-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]ethyl]pyridine

C19H20ClN5S — CID 46691852

IUPAC2-[2-[[4-(2-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]ethyl]pyridine
SMILESClc1ccccc1-n1c(SCCc2ccccn2)nnc1N1CCCC1
InChIInChI=1S/C19H20ClN5S/c20-16-8-1-2-9-17(16)25-18(24-12-5-6-13-24)22-23-19(25)26-14-10-15-7-3-4-11-21-15/h1-4,7-9,11H,5-6,10,12-14H2
InChIKeyFFPNMMSIYZQKOM-UHFFFAOYSA-N
MW385.92 g/mol
LogP4.25
Rot. Bonds6

About 2-[2-[[4-(2-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]ethyl]pyridine

2-[2-[[4-(2-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]ethyl]pyridine (PubChem CID 46691852) has the molecular formula C19H20ClN5S and a molecular weight of 385.92 g/mol. Its IUPAC name is 2-[2-[[4-(2-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]ethyl]pyridine.

Molecular Properties

Compound Name2-[2-[[4-(2-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]ethyl]pyridine
PubChem CID46691852
Molecular FormulaC19H20ClN5S
Molecular Weight385.92 g/mol
Exact Mass385.11
IUPAC Name2-[2-[[4-(2-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]ethyl]pyridine
SMILESClc1ccccc1-n1c(SCCc2ccccn2)nnc1N1CCCC1
InChIInChI=1S/C19H20ClN5S/c20-16-8-1-2-9-17(16)25-18(24-12-5-6-13-24)22-23-19(25)26-14-10-15-7-3-4-11-21-15/h1-4,7-9,11H,5-6,10,12-14H2
InChIKeyFFPNMMSIYZQKOM-UHFFFAOYSA-N
XLogP4.25
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.92
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[2-[[4-(2-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]ethyl]pyridine with MolForge

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Related Compounds

4-[4-(3-fluorophenyl)-5-(2-pyridin-2-ylethylsulfanyl)-1,2,4-triazol-3-yl]morpholine
CID 46691876
4-(2-chlorophenyl)-3-[3-(oxan-2-yloxy)propylsulfanyl]-5-pyrrolidin-1-yl-1,2,4-triazole
CID 86815340
3-[[4-(2-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylsulfanylphenyl)propanamide
CID 55482415
2-[[4-(2-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(5-chloro-2-pyridinyl)acetamide
CID 16602173
N'-[2-[[4-(2-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]benzohydrazide
CID 27763398
2-[[4-(2-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethanone
CID 55846199
2-[2-(2-chlorophenyl)sulfanylethyl]pyridine
CID 78815813
5-[[4-(2-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 24649700
2-[[4-(2-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1-(difluoromethyl)benzimidazole
CID 16625510
2-[[4-(2-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 24606703
1-[[4-(2-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 60585096
2-[2-(2-pyrrolidin-1-ylphenyl)ethyl]pyridine
CID 168512294

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[4-(2-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]ethyl]pyridine?
The IUPAC name of 2-[2-[[4-(2-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]ethyl]pyridine (CID 46691852) is 2-[2-[[4-(2-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]ethyl]pyridine.
What is the SMILES notation for 2-[2-[[4-(2-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]ethyl]pyridine?
The canonical SMILES for 2-[2-[[4-(2-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]ethyl]pyridine is Clc1ccccc1-n1c(SCCc2ccccn2)nnc1N1CCCC1.
What is the InChIKey of 2-[2-[[4-(2-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]ethyl]pyridine?
The InChIKey is FFPNMMSIYZQKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5S/c20-16-8-1-2-9-17(16)25-18(24-12-5-6-13-24)22-23-19(25)26-14-10-15-7-3-4-11-21-15/h1-4,7-9,11H,5-6,10,12-14H2.
What are the key properties of 2-[2-[[4-(2-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]ethyl]pyridine?
2-[2-[[4-(2-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]ethyl]pyridine has a molecular weight of 385.92 g/mol, XLogP of 4.25, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[4-(2-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]ethyl]pyridine is sourced from PubChem (CID 46691852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).