N-[(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide

C11H19N5O2S — CID 6489490

IUPACN-[(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide
SMILESCCn1c(CNC(=O)N2CCOCC2)nnc1SC
InChIInChI=1S/C11H19N5O2S/c1-3-16-9(13-14-11(16)19-2)8-12-10(17)15-4-6-18-7-5-15/h3-8H2,1-2H3,(H,12,17)
InChIKeySDPXIDJRYHYGFY-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.56
Rot. Bonds4

About N-[(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide

N-[(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide (PubChem CID 6489490) has the molecular formula C11H19N5O2S and a molecular weight of 285.37 g/mol. Its IUPAC name is N-[(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide
PubChem CID6489490
Molecular FormulaC11H19N5O2S
Molecular Weight285.37 g/mol
Exact Mass285.13
IUPAC NameN-[(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide
SMILESCCn1c(CNC(=O)N2CCOCC2)nnc1SC
InChIInChI=1S/C11H19N5O2S/c1-3-16-9(13-14-11(16)19-2)8-12-10(17)15-4-6-18-7-5-15/h3-8H2,1-2H3,(H,12,17)
InChIKeySDPXIDJRYHYGFY-UHFFFAOYSA-N
XLogP0.56
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide?
The IUPAC name of N-[(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide (CID 6489490) is N-[(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide?
The canonical SMILES for N-[(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide is CCn1c(CNC(=O)N2CCOCC2)nnc1SC.
What is the InChIKey of N-[(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide?
The InChIKey is SDPXIDJRYHYGFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2S/c1-3-16-9(13-14-11(16)19-2)8-12-10(17)15-4-6-18-7-5-15/h3-8H2,1-2H3,(H,12,17).
What are the key properties of N-[(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide?
N-[(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide has a molecular weight of 285.37 g/mol, XLogP of 0.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide is sourced from PubChem (CID 6489490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).