[2-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-morpholin-4-ylmethanone

C14H23N5O2S — CID 3232028

IUPAC[2-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-morpholin-4-ylmethanone
SMILESCCn1c(SC)nnc1C1CCCN1C(=O)N1CCOCC1
InChIInChI=1S/C14H23N5O2S/c1-3-18-12(15-16-13(18)22-2)11-5-4-6-19(11)14(20)17-7-9-21-10-8-17/h11H,3-10H2,1-2H3
InChIKeyMCGOIUQEONAZIM-UHFFFAOYSA-N
MW325.44 g/mol
LogP1.61
Rot. Bonds3

About [2-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-morpholin-4-ylmethanone

[2-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-morpholin-4-ylmethanone (PubChem CID 3232028) has the molecular formula C14H23N5O2S and a molecular weight of 325.44 g/mol. Its IUPAC name is [2-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-morpholin-4-ylmethanone
PubChem CID3232028
Molecular FormulaC14H23N5O2S
Molecular Weight325.44 g/mol
Exact Mass325.16
IUPAC Name[2-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-morpholin-4-ylmethanone
SMILESCCn1c(SC)nnc1C1CCCN1C(=O)N1CCOCC1
InChIInChI=1S/C14H23N5O2S/c1-3-18-12(15-16-13(18)22-2)11-5-4-6-19(11)14(20)17-7-9-21-10-8-17/h11H,3-10H2,1-2H3
InChIKeyMCGOIUQEONAZIM-UHFFFAOYSA-N
XLogP1.61
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-morpholin-4-ylmethanone?
The IUPAC name of [2-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-morpholin-4-ylmethanone (CID 3232028) is [2-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-morpholin-4-ylmethanone is CCn1c(SC)nnc1C1CCCN1C(=O)N1CCOCC1.
What is the InChIKey of [2-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-morpholin-4-ylmethanone?
The InChIKey is MCGOIUQEONAZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2S/c1-3-18-12(15-16-13(18)22-2)11-5-4-6-19(11)14(20)17-7-9-21-10-8-17/h11H,3-10H2,1-2H3.
What are the key properties of [2-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-morpholin-4-ylmethanone?
[2-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-morpholin-4-ylmethanone has a molecular weight of 325.44 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 3232028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).