3-(2H-triazol-4-yl)thiomorpholine

C6H10N4S — CID 173186875

IUPAC3-(2H-triazol-4-yl)thiomorpholine
SMILESc1n[nH]nc1C1CSCCN1
InChIInChI=1S/C6H10N4S/c1-2-11-4-6(7-1)5-3-8-10-9-5/h3,6-7H,1-2,4H2,(H,8,9,10)
InChIKeyKOZXQRVUOXQXAE-UHFFFAOYSA-N
MW170.24 g/mol
LogP0.18
Rot. Bonds1

About 3-(2H-triazol-4-yl)thiomorpholine

3-(2H-triazol-4-yl)thiomorpholine (PubChem CID 173186875) has the molecular formula C6H10N4S and a molecular weight of 170.24 g/mol. Its IUPAC name is 3-(2H-triazol-4-yl)thiomorpholine.

Molecular Properties

Compound Name3-(2H-triazol-4-yl)thiomorpholine
PubChem CID173186875
Molecular FormulaC6H10N4S
Molecular Weight170.24 g/mol
Exact Mass170.06
IUPAC Name3-(2H-triazol-4-yl)thiomorpholine
SMILESc1n[nH]nc1C1CSCCN1
InChIInChI=1S/C6H10N4S/c1-2-11-4-6(7-1)5-3-8-10-9-5/h3,6-7H,1-2,4H2,(H,8,9,10)
InChIKeyKOZXQRVUOXQXAE-UHFFFAOYSA-N
XLogP0.18
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.24
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2H-triazol-4-yl)thiomorpholine?
The IUPAC name of 3-(2H-triazol-4-yl)thiomorpholine (CID 173186875) is 3-(2H-triazol-4-yl)thiomorpholine.
What is the SMILES notation for 3-(2H-triazol-4-yl)thiomorpholine?
The canonical SMILES for 3-(2H-triazol-4-yl)thiomorpholine is c1n[nH]nc1C1CSCCN1.
What is the InChIKey of 3-(2H-triazol-4-yl)thiomorpholine?
The InChIKey is KOZXQRVUOXQXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4S/c1-2-11-4-6(7-1)5-3-8-10-9-5/h3,6-7H,1-2,4H2,(H,8,9,10).
What are the key properties of 3-(2H-triazol-4-yl)thiomorpholine?
3-(2H-triazol-4-yl)thiomorpholine has a molecular weight of 170.24 g/mol, XLogP of 0.18, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2H-triazol-4-yl)thiomorpholine is sourced from PubChem (CID 173186875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).