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

C15H22N4OS — CID 71928067

IUPAC2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)-4-(2-thiophen-2-ylethyl)morpholine
SMILESCC(C)c1n[nH]c(C2CN(CCc3cccs3)CCO2)n1
InChIInChI=1S/C15H22N4OS/c1-11(2)14-16-15(18-17-14)13-10-19(7-8-20-13)6-5-12-4-3-9-21-12/h3-4,9,11,13H,5-8,10H2,1-2H3,(H,16,17,18)
InChIKeyNWFCTVZKQCFGFJ-UHFFFAOYSA-N
MW306.44 g/mol
LogP2.61
Rot. Bonds5

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

2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)-4-(2-thiophen-2-ylethyl)morpholine (PubChem CID 71928067) has the molecular formula C15H22N4OS and a molecular weight of 306.44 g/mol. Its IUPAC name is 2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)-4-(2-thiophen-2-ylethyl)morpholine.

Molecular Properties

Compound Name2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)-4-(2-thiophen-2-ylethyl)morpholine
PubChem CID71928067
Molecular FormulaC15H22N4OS
Molecular Weight306.44 g/mol
Exact Mass306.15
IUPAC Name2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)-4-(2-thiophen-2-ylethyl)morpholine
SMILESCC(C)c1n[nH]c(C2CN(CCc3cccs3)CCO2)n1
InChIInChI=1S/C15H22N4OS/c1-11(2)14-16-15(18-17-14)13-10-19(7-8-20-13)6-5-12-4-3-9-21-12/h3-4,9,11,13H,5-8,10H2,1-2H3,(H,16,17,18)
InChIKeyNWFCTVZKQCFGFJ-UHFFFAOYSA-N
XLogP2.61
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.44
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)-4-(2-thiophen-2-ylethyl)morpholine?
The IUPAC name of 2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)-4-(2-thiophen-2-ylethyl)morpholine (CID 71928067) is 2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)-4-(2-thiophen-2-ylethyl)morpholine.
What is the SMILES notation for 2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)-4-(2-thiophen-2-ylethyl)morpholine?
The canonical SMILES for 2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)-4-(2-thiophen-2-ylethyl)morpholine is CC(C)c1n[nH]c(C2CN(CCc3cccs3)CCO2)n1.
What is the InChIKey of 2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)-4-(2-thiophen-2-ylethyl)morpholine?
The InChIKey is NWFCTVZKQCFGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4OS/c1-11(2)14-16-15(18-17-14)13-10-19(7-8-20-13)6-5-12-4-3-9-21-12/h3-4,9,11,13H,5-8,10H2,1-2H3,(H,16,17,18).
What are the key properties of 2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)-4-(2-thiophen-2-ylethyl)morpholine?
2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)-4-(2-thiophen-2-ylethyl)morpholine has a molecular weight of 306.44 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)-4-(2-thiophen-2-ylethyl)morpholine is sourced from PubChem (CID 71928067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).