4-[2-[3-(1H-indol-3-yl)-1H-1,2,4-triazol-5-yl]propan-2-yl]morpholine

C17H21N5O — CID 137177439

IUPAC4-[2-[3-(1H-indol-3-yl)-1H-1,2,4-triazol-5-yl]propan-2-yl]morpholine
SMILESCC(C)(c1nc(-c2c[nH]c3ccccc23)n[nH]1)N1CCOCC1
InChIInChI=1S/C17H21N5O/c1-17(2,22-7-9-23-10-8-22)16-19-15(20-21-16)13-11-18-14-6-4-3-5-12(13)14/h3-6,11,18H,7-10H2,1-2H3,(H,19,20,21)
InChIKeyRFEPTEJTRFGSPH-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.52
Rot. Bonds3

About 4-[2-[3-(1H-indol-3-yl)-1H-1,2,4-triazol-5-yl]propan-2-yl]morpholine

4-[2-[3-(1H-indol-3-yl)-1H-1,2,4-triazol-5-yl]propan-2-yl]morpholine (PubChem CID 137177439) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is 4-[2-[3-(1H-indol-3-yl)-1H-1,2,4-triazol-5-yl]propan-2-yl]morpholine.

Molecular Properties

Compound Name4-[2-[3-(1H-indol-3-yl)-1H-1,2,4-triazol-5-yl]propan-2-yl]morpholine
PubChem CID137177439
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC Name4-[2-[3-(1H-indol-3-yl)-1H-1,2,4-triazol-5-yl]propan-2-yl]morpholine
SMILESCC(C)(c1nc(-c2c[nH]c3ccccc23)n[nH]1)N1CCOCC1
InChIInChI=1S/C17H21N5O/c1-17(2,22-7-9-23-10-8-22)16-19-15(20-21-16)13-11-18-14-6-4-3-5-12(13)14/h3-6,11,18H,7-10H2,1-2H3,(H,19,20,21)
InChIKeyRFEPTEJTRFGSPH-UHFFFAOYSA-N
XLogP2.52
TPSA69.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-(1H-indol-3-yl)-1H-1,2,4-triazol-5-yl]propan-2-yl]morpholine?
The IUPAC name of 4-[2-[3-(1H-indol-3-yl)-1H-1,2,4-triazol-5-yl]propan-2-yl]morpholine (CID 137177439) is 4-[2-[3-(1H-indol-3-yl)-1H-1,2,4-triazol-5-yl]propan-2-yl]morpholine.
What is the SMILES notation for 4-[2-[3-(1H-indol-3-yl)-1H-1,2,4-triazol-5-yl]propan-2-yl]morpholine?
The canonical SMILES for 4-[2-[3-(1H-indol-3-yl)-1H-1,2,4-triazol-5-yl]propan-2-yl]morpholine is CC(C)(c1nc(-c2c[nH]c3ccccc23)n[nH]1)N1CCOCC1.
What is the InChIKey of 4-[2-[3-(1H-indol-3-yl)-1H-1,2,4-triazol-5-yl]propan-2-yl]morpholine?
The InChIKey is RFEPTEJTRFGSPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c1-17(2,22-7-9-23-10-8-22)16-19-15(20-21-16)13-11-18-14-6-4-3-5-12(13)14/h3-6,11,18H,7-10H2,1-2H3,(H,19,20,21).
What are the key properties of 4-[2-[3-(1H-indol-3-yl)-1H-1,2,4-triazol-5-yl]propan-2-yl]morpholine?
4-[2-[3-(1H-indol-3-yl)-1H-1,2,4-triazol-5-yl]propan-2-yl]morpholine has a molecular weight of 311.39 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-(1H-indol-3-yl)-1H-1,2,4-triazol-5-yl]propan-2-yl]morpholine is sourced from PubChem (CID 137177439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).