N,4-diethyl-5-thiomorpholin-3-yl-1,2,4-triazol-3-amine

C10H19N5S — CID 112597518

IUPACN,4-diethyl-5-thiomorpholin-3-yl-1,2,4-triazol-3-amine
SMILESCCNc1nnc(C2CSCCN2)n1CC
InChIInChI=1S/C10H19N5S/c1-3-11-10-14-13-9(15(10)4-2)8-7-16-6-5-12-8/h8,12H,3-7H2,1-2H3,(H,11,14)
InChIKeyTWSUWFNLNSUZBJ-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.11
Rot. Bonds4

About N,4-diethyl-5-thiomorpholin-3-yl-1,2,4-triazol-3-amine

N,4-diethyl-5-thiomorpholin-3-yl-1,2,4-triazol-3-amine (PubChem CID 112597518) has the molecular formula C10H19N5S and a molecular weight of 241.36 g/mol. Its IUPAC name is N,4-diethyl-5-thiomorpholin-3-yl-1,2,4-triazol-3-amine.

Molecular Properties

Compound NameN,4-diethyl-5-thiomorpholin-3-yl-1,2,4-triazol-3-amine
PubChem CID112597518
Molecular FormulaC10H19N5S
Molecular Weight241.36 g/mol
Exact Mass241.14
IUPAC NameN,4-diethyl-5-thiomorpholin-3-yl-1,2,4-triazol-3-amine
SMILESCCNc1nnc(C2CSCCN2)n1CC
InChIInChI=1S/C10H19N5S/c1-3-11-10-14-13-9(15(10)4-2)8-7-16-6-5-12-8/h8,12H,3-7H2,1-2H3,(H,11,14)
InChIKeyTWSUWFNLNSUZBJ-UHFFFAOYSA-N
XLogP1.11
TPSA54.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,4-diethyl-5-thiomorpholin-3-yl-1,2,4-triazol-3-amine?
The IUPAC name of N,4-diethyl-5-thiomorpholin-3-yl-1,2,4-triazol-3-amine (CID 112597518) is N,4-diethyl-5-thiomorpholin-3-yl-1,2,4-triazol-3-amine.
What is the SMILES notation for N,4-diethyl-5-thiomorpholin-3-yl-1,2,4-triazol-3-amine?
The canonical SMILES for N,4-diethyl-5-thiomorpholin-3-yl-1,2,4-triazol-3-amine is CCNc1nnc(C2CSCCN2)n1CC.
What is the InChIKey of N,4-diethyl-5-thiomorpholin-3-yl-1,2,4-triazol-3-amine?
The InChIKey is TWSUWFNLNSUZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5S/c1-3-11-10-14-13-9(15(10)4-2)8-7-16-6-5-12-8/h8,12H,3-7H2,1-2H3,(H,11,14).
What are the key properties of N,4-diethyl-5-thiomorpholin-3-yl-1,2,4-triazol-3-amine?
N,4-diethyl-5-thiomorpholin-3-yl-1,2,4-triazol-3-amine has a molecular weight of 241.36 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-diethyl-5-thiomorpholin-3-yl-1,2,4-triazol-3-amine is sourced from PubChem (CID 112597518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).