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

C10H17N5O2S — CID 6489488

IUPACN-[(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide
SMILESCSc1nnc(CNC(=O)N2CCOCC2)n1C
InChIInChI=1S/C10H17N5O2S/c1-14-8(12-13-10(14)18-2)7-11-9(16)15-3-5-17-6-4-15/h3-7H2,1-2H3,(H,11,16)
InChIKeyVDYXOQGAPBKCKO-UHFFFAOYSA-N
MW271.35 g/mol
LogP0.08
Rot. Bonds3

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

N-[(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide (PubChem CID 6489488) has the molecular formula C10H17N5O2S and a molecular weight of 271.35 g/mol. Its IUPAC name is N-[(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide
PubChem CID6489488
Molecular FormulaC10H17N5O2S
Molecular Weight271.35 g/mol
Exact Mass271.11
IUPAC NameN-[(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide
SMILESCSc1nnc(CNC(=O)N2CCOCC2)n1C
InChIInChI=1S/C10H17N5O2S/c1-14-8(12-13-10(14)18-2)7-11-9(16)15-3-5-17-6-4-15/h3-7H2,1-2H3,(H,11,16)
InChIKeyVDYXOQGAPBKCKO-UHFFFAOYSA-N
XLogP0.08
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide?
The IUPAC name of N-[(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide (CID 6489488) is N-[(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide?
The canonical SMILES for N-[(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide is CSc1nnc(CNC(=O)N2CCOCC2)n1C.
What is the InChIKey of N-[(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide?
The InChIKey is VDYXOQGAPBKCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2S/c1-14-8(12-13-10(14)18-2)7-11-9(16)15-3-5-17-6-4-15/h3-7H2,1-2H3,(H,11,16).
What are the key properties of N-[(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide?
N-[(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide has a molecular weight of 271.35 g/mol, XLogP of 0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide is sourced from PubChem (CID 6489488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).