2-(5-propyl-1H-1,2,4-triazol-3-yl)-4-(2-thiophen-2-ylethyl)morpholine

C15H22N4OS — CID 71928053

IUPAC2-(5-propyl-1H-1,2,4-triazol-3-yl)-4-(2-thiophen-2-ylethyl)morpholine
SMILESCCCc1nc(C2CN(CCc3cccs3)CCO2)n[nH]1
InChIInChI=1S/C15H22N4OS/c1-2-4-14-16-15(18-17-14)13-11-19(8-9-20-13)7-6-12-5-3-10-21-12/h3,5,10,13H,2,4,6-9,11H2,1H3,(H,16,17,18)
InChIKeyZCANZTJGXOXTQL-UHFFFAOYSA-N
MW306.43 g/mol
LogP2.43
Rot. Bonds6

About 2-(5-propyl-1H-1,2,4-triazol-3-yl)-4-(2-thiophen-2-ylethyl)morpholine

2-(5-propyl-1H-1,2,4-triazol-3-yl)-4-(2-thiophen-2-ylethyl)morpholine (PubChem CID 71928053) has the molecular formula C15H22N4OS and a molecular weight of 306.43 g/mol. Its IUPAC name is 2-(5-propyl-1H-1,2,4-triazol-3-yl)-4-(2-thiophen-2-ylethyl)morpholine.

Molecular Properties

Compound Name2-(5-propyl-1H-1,2,4-triazol-3-yl)-4-(2-thiophen-2-ylethyl)morpholine
PubChem CID71928053
Molecular FormulaC15H22N4OS
Molecular Weight306.43 g/mol
Exact Mass306.15
IUPAC Name2-(5-propyl-1H-1,2,4-triazol-3-yl)-4-(2-thiophen-2-ylethyl)morpholine
SMILESCCCc1nc(C2CN(CCc3cccs3)CCO2)n[nH]1
InChIInChI=1S/C15H22N4OS/c1-2-4-14-16-15(18-17-14)13-11-19(8-9-20-13)7-6-12-5-3-10-21-12/h3,5,10,13H,2,4,6-9,11H2,1H3,(H,16,17,18)
InChIKeyZCANZTJGXOXTQL-UHFFFAOYSA-N
XLogP2.43
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-propyl-1H-1,2,4-triazol-3-yl)-4-(2-thiophen-2-ylethyl)morpholine?
The IUPAC name of 2-(5-propyl-1H-1,2,4-triazol-3-yl)-4-(2-thiophen-2-ylethyl)morpholine (CID 71928053) is 2-(5-propyl-1H-1,2,4-triazol-3-yl)-4-(2-thiophen-2-ylethyl)morpholine.
What is the SMILES notation for 2-(5-propyl-1H-1,2,4-triazol-3-yl)-4-(2-thiophen-2-ylethyl)morpholine?
The canonical SMILES for 2-(5-propyl-1H-1,2,4-triazol-3-yl)-4-(2-thiophen-2-ylethyl)morpholine is CCCc1nc(C2CN(CCc3cccs3)CCO2)n[nH]1.
What is the InChIKey of 2-(5-propyl-1H-1,2,4-triazol-3-yl)-4-(2-thiophen-2-ylethyl)morpholine?
The InChIKey is ZCANZTJGXOXTQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4OS/c1-2-4-14-16-15(18-17-14)13-11-19(8-9-20-13)7-6-12-5-3-10-21-12/h3,5,10,13H,2,4,6-9,11H2,1H3,(H,16,17,18).
What are the key properties of 2-(5-propyl-1H-1,2,4-triazol-3-yl)-4-(2-thiophen-2-ylethyl)morpholine?
2-(5-propyl-1H-1,2,4-triazol-3-yl)-4-(2-thiophen-2-ylethyl)morpholine has a molecular weight of 306.43 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-propyl-1H-1,2,4-triazol-3-yl)-4-(2-thiophen-2-ylethyl)morpholine is sourced from PubChem (CID 71928053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).