3-(4-propyl-1,2,4-triazol-3-yl)thiomorpholine

C9H16N4S — CID 82909389

IUPAC3-(4-propyl-1,2,4-triazol-3-yl)thiomorpholine
SMILESCCCn1cnnc1C1CSCCN1
InChIInChI=1S/C9H16N4S/c1-2-4-13-7-11-12-9(13)8-6-14-5-3-10-8/h7-8,10H,2-6H2,1H3
InChIKeyHCTMWHKHLUKIJO-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.07
Rot. Bonds3

About 3-(4-propyl-1,2,4-triazol-3-yl)thiomorpholine

3-(4-propyl-1,2,4-triazol-3-yl)thiomorpholine (PubChem CID 82909389) has the molecular formula C9H16N4S and a molecular weight of 212.32 g/mol. Its IUPAC name is 3-(4-propyl-1,2,4-triazol-3-yl)thiomorpholine.

Molecular Properties

Compound Name3-(4-propyl-1,2,4-triazol-3-yl)thiomorpholine
PubChem CID82909389
Molecular FormulaC9H16N4S
Molecular Weight212.32 g/mol
Exact Mass212.11
IUPAC Name3-(4-propyl-1,2,4-triazol-3-yl)thiomorpholine
SMILESCCCn1cnnc1C1CSCCN1
InChIInChI=1S/C9H16N4S/c1-2-4-13-7-11-12-9(13)8-6-14-5-3-10-8/h7-8,10H,2-6H2,1H3
InChIKeyHCTMWHKHLUKIJO-UHFFFAOYSA-N
XLogP1.07
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-propyl-1,2,4-triazol-3-yl)thiomorpholine?
The IUPAC name of 3-(4-propyl-1,2,4-triazol-3-yl)thiomorpholine (CID 82909389) is 3-(4-propyl-1,2,4-triazol-3-yl)thiomorpholine.
What is the SMILES notation for 3-(4-propyl-1,2,4-triazol-3-yl)thiomorpholine?
The canonical SMILES for 3-(4-propyl-1,2,4-triazol-3-yl)thiomorpholine is CCCn1cnnc1C1CSCCN1.
What is the InChIKey of 3-(4-propyl-1,2,4-triazol-3-yl)thiomorpholine?
The InChIKey is HCTMWHKHLUKIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4S/c1-2-4-13-7-11-12-9(13)8-6-14-5-3-10-8/h7-8,10H,2-6H2,1H3.
What are the key properties of 3-(4-propyl-1,2,4-triazol-3-yl)thiomorpholine?
3-(4-propyl-1,2,4-triazol-3-yl)thiomorpholine has a molecular weight of 212.32 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-propyl-1,2,4-triazol-3-yl)thiomorpholine is sourced from PubChem (CID 82909389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).