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

C14H17ClN4OS — CID 35052035

IUPAC4-[2-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]morpholine
SMILESClc1ccc(-c2nc(SCCN3CCOCC3)n[nH]2)cc1
InChIInChI=1S/C14H17ClN4OS/c15-12-3-1-11(2-4-12)13-16-14(18-17-13)21-10-7-19-5-8-20-9-6-19/h1-4H,5-10H2,(H,16,17,18)
InChIKeyFUQDNTIHIPRMAF-UHFFFAOYSA-N
MW324.84 g/mol
LogP2.55
Rot. Bonds5

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

4-[2-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]morpholine (PubChem CID 35052035) has the molecular formula C14H17ClN4OS and a molecular weight of 324.84 g/mol. Its IUPAC name is 4-[2-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]morpholine
PubChem CID35052035
Molecular FormulaC14H17ClN4OS
Molecular Weight324.84 g/mol
Exact Mass324.08
IUPAC Name4-[2-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]morpholine
SMILESClc1ccc(-c2nc(SCCN3CCOCC3)n[nH]2)cc1
InChIInChI=1S/C14H17ClN4OS/c15-12-3-1-11(2-4-12)13-16-14(18-17-13)21-10-7-19-5-8-20-9-6-19/h1-4H,5-10H2,(H,16,17,18)
InChIKeyFUQDNTIHIPRMAF-UHFFFAOYSA-N
XLogP2.55
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.84
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]morpholine?
The IUPAC name of 4-[2-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]morpholine (CID 35052035) is 4-[2-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]morpholine?
The canonical SMILES for 4-[2-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]morpholine is Clc1ccc(-c2nc(SCCN3CCOCC3)n[nH]2)cc1.
What is the InChIKey of 4-[2-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]morpholine?
The InChIKey is FUQDNTIHIPRMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4OS/c15-12-3-1-11(2-4-12)13-16-14(18-17-13)21-10-7-19-5-8-20-9-6-19/h1-4H,5-10H2,(H,16,17,18).
What are the key properties of 4-[2-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]morpholine?
4-[2-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]morpholine has a molecular weight of 324.84 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]morpholine is sourced from PubChem (CID 35052035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).