4-[[1-[2-(4-chloro-1H-indol-3-yl)ethyl]triazol-4-yl]methyl]morpholine

C17H20ClN5O — CID 139219565

IUPAC4-[[1-[2-(4-chloro-1H-indol-3-yl)ethyl]triazol-4-yl]methyl]morpholine
SMILESClc1cccc2[nH]cc(CCn3cc(CN4CCOCC4)nn3)c12
InChIInChI=1S/C17H20ClN5O/c18-15-2-1-3-16-17(15)13(10-19-16)4-5-23-12-14(20-21-23)11-22-6-8-24-9-7-22/h1-3,10,12,19H,4-9,11H2
InChIKeyUVKVTDBNHXWWPM-UHFFFAOYSA-N
MW345.83 g/mol
LogP2.49
Rot. Bonds5

About 4-[[1-[2-(4-chloro-1H-indol-3-yl)ethyl]triazol-4-yl]methyl]morpholine

4-[[1-[2-(4-chloro-1H-indol-3-yl)ethyl]triazol-4-yl]methyl]morpholine (PubChem CID 139219565) has the molecular formula C17H20ClN5O and a molecular weight of 345.83 g/mol. Its IUPAC name is 4-[[1-[2-(4-chloro-1H-indol-3-yl)ethyl]triazol-4-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[1-[2-(4-chloro-1H-indol-3-yl)ethyl]triazol-4-yl]methyl]morpholine
PubChem CID139219565
Molecular FormulaC17H20ClN5O
Molecular Weight345.83 g/mol
Exact Mass345.14
IUPAC Name4-[[1-[2-(4-chloro-1H-indol-3-yl)ethyl]triazol-4-yl]methyl]morpholine
SMILESClc1cccc2[nH]cc(CCn3cc(CN4CCOCC4)nn3)c12
InChIInChI=1S/C17H20ClN5O/c18-15-2-1-3-16-17(15)13(10-19-16)4-5-23-12-14(20-21-23)11-22-6-8-24-9-7-22/h1-3,10,12,19H,4-9,11H2
InChIKeyUVKVTDBNHXWWPM-UHFFFAOYSA-N
XLogP2.49
TPSA58.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-[2-(4-chloro-1H-indol-3-yl)ethyl]triazol-4-yl]methyl]morpholine?
The IUPAC name of 4-[[1-[2-(4-chloro-1H-indol-3-yl)ethyl]triazol-4-yl]methyl]morpholine (CID 139219565) is 4-[[1-[2-(4-chloro-1H-indol-3-yl)ethyl]triazol-4-yl]methyl]morpholine.
What is the SMILES notation for 4-[[1-[2-(4-chloro-1H-indol-3-yl)ethyl]triazol-4-yl]methyl]morpholine?
The canonical SMILES for 4-[[1-[2-(4-chloro-1H-indol-3-yl)ethyl]triazol-4-yl]methyl]morpholine is Clc1cccc2[nH]cc(CCn3cc(CN4CCOCC4)nn3)c12.
What is the InChIKey of 4-[[1-[2-(4-chloro-1H-indol-3-yl)ethyl]triazol-4-yl]methyl]morpholine?
The InChIKey is UVKVTDBNHXWWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN5O/c18-15-2-1-3-16-17(15)13(10-19-16)4-5-23-12-14(20-21-23)11-22-6-8-24-9-7-22/h1-3,10,12,19H,4-9,11H2.
What are the key properties of 4-[[1-[2-(4-chloro-1H-indol-3-yl)ethyl]triazol-4-yl]methyl]morpholine?
4-[[1-[2-(4-chloro-1H-indol-3-yl)ethyl]triazol-4-yl]methyl]morpholine has a molecular weight of 345.83 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[2-(4-chloro-1H-indol-3-yl)ethyl]triazol-4-yl]methyl]morpholine is sourced from PubChem (CID 139219565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).