4-[2-[3-iodo-5-(1-methyl-1,2,4-triazol-3-yl)indol-1-yl]ethyl]morpholine

C17H20IN5O — CID 137376152

IUPAC4-[2-[3-iodo-5-(1-methyl-1,2,4-triazol-3-yl)indol-1-yl]ethyl]morpholine
SMILESCn1cnc(-c2ccc3c(c2)c(I)cn3CCN2CCOCC2)n1
InChIInChI=1S/C17H20IN5O/c1-21-12-19-17(20-21)13-2-3-16-14(10-13)15(18)11-23(16)5-4-22-6-8-24-9-7-22/h2-3,10-12H,4-9H2,1H3
InChIKeyQJNIDEKFYYXQPQ-UHFFFAOYSA-N
MW437.29 g/mol
LogP2.37
Rot. Bonds4

About 4-[2-[3-iodo-5-(1-methyl-1,2,4-triazol-3-yl)indol-1-yl]ethyl]morpholine

4-[2-[3-iodo-5-(1-methyl-1,2,4-triazol-3-yl)indol-1-yl]ethyl]morpholine (PubChem CID 137376152) has the molecular formula C17H20IN5O and a molecular weight of 437.29 g/mol. Its IUPAC name is 4-[2-[3-iodo-5-(1-methyl-1,2,4-triazol-3-yl)indol-1-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[3-iodo-5-(1-methyl-1,2,4-triazol-3-yl)indol-1-yl]ethyl]morpholine
PubChem CID137376152
Molecular FormulaC17H20IN5O
Molecular Weight437.29 g/mol
Exact Mass437.07
IUPAC Name4-[2-[3-iodo-5-(1-methyl-1,2,4-triazol-3-yl)indol-1-yl]ethyl]morpholine
SMILESCn1cnc(-c2ccc3c(c2)c(I)cn3CCN2CCOCC2)n1
InChIInChI=1S/C17H20IN5O/c1-21-12-19-17(20-21)13-2-3-16-14(10-13)15(18)11-23(16)5-4-22-6-8-24-9-7-22/h2-3,10-12H,4-9H2,1H3
InChIKeyQJNIDEKFYYXQPQ-UHFFFAOYSA-N
XLogP2.37
TPSA48.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.29
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 4-[2-[3-iodo-5-(1-methyl-1,2,4-triazol-3-yl)indol-1-yl]ethyl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-iodo-5-(1-methyl-1,2,4-triazol-3-yl)indol-1-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[3-iodo-5-(1-methyl-1,2,4-triazol-3-yl)indol-1-yl]ethyl]morpholine (CID 137376152) is 4-[2-[3-iodo-5-(1-methyl-1,2,4-triazol-3-yl)indol-1-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[3-iodo-5-(1-methyl-1,2,4-triazol-3-yl)indol-1-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[3-iodo-5-(1-methyl-1,2,4-triazol-3-yl)indol-1-yl]ethyl]morpholine is Cn1cnc(-c2ccc3c(c2)c(I)cn3CCN2CCOCC2)n1.
What is the InChIKey of 4-[2-[3-iodo-5-(1-methyl-1,2,4-triazol-3-yl)indol-1-yl]ethyl]morpholine?
The InChIKey is QJNIDEKFYYXQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20IN5O/c1-21-12-19-17(20-21)13-2-3-16-14(10-13)15(18)11-23(16)5-4-22-6-8-24-9-7-22/h2-3,10-12H,4-9H2,1H3.
What are the key properties of 4-[2-[3-iodo-5-(1-methyl-1,2,4-triazol-3-yl)indol-1-yl]ethyl]morpholine?
4-[2-[3-iodo-5-(1-methyl-1,2,4-triazol-3-yl)indol-1-yl]ethyl]morpholine has a molecular weight of 437.29 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-iodo-5-(1-methyl-1,2,4-triazol-3-yl)indol-1-yl]ethyl]morpholine is sourced from PubChem (CID 137376152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).