2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)morpholine

C7H12N4OS — CID 64533865

IUPAC2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)morpholine
SMILESc1n[nH]c(SCC2CNCCO2)n1
InChIInChI=1S/C7H12N4OS/c1-2-12-6(3-8-1)4-13-7-9-5-10-11-7/h5-6,8H,1-4H2,(H,9,10,11)
InChIKeyADRWPRFTZGCISZ-UHFFFAOYSA-N
MW200.27 g/mol
LogP-0.11
Rot. Bonds3

About 2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)morpholine

2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)morpholine (PubChem CID 64533865) has the molecular formula C7H12N4OS and a molecular weight of 200.27 g/mol. Its IUPAC name is 2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)morpholine.

Molecular Properties

Compound Name2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)morpholine
PubChem CID64533865
Molecular FormulaC7H12N4OS
Molecular Weight200.27 g/mol
Exact Mass200.07
IUPAC Name2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)morpholine
SMILESc1n[nH]c(SCC2CNCCO2)n1
InChIInChI=1S/C7H12N4OS/c1-2-12-6(3-8-1)4-13-7-9-5-10-11-7/h5-6,8H,1-4H2,(H,9,10,11)
InChIKeyADRWPRFTZGCISZ-UHFFFAOYSA-N
XLogP-0.11
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.27
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)morpholine?
The IUPAC name of 2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)morpholine (CID 64533865) is 2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)morpholine.
What is the SMILES notation for 2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)morpholine?
The canonical SMILES for 2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)morpholine is c1n[nH]c(SCC2CNCCO2)n1.
What is the InChIKey of 2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)morpholine?
The InChIKey is ADRWPRFTZGCISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4OS/c1-2-12-6(3-8-1)4-13-7-9-5-10-11-7/h5-6,8H,1-4H2,(H,9,10,11).
What are the key properties of 2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)morpholine?
2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)morpholine has a molecular weight of 200.27 g/mol, XLogP of -0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)morpholine is sourced from PubChem (CID 64533865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).