2-[4-[(6-chloro-2,3-dihydroindol-1-yl)methyl]triazol-1-yl]acetamide

C13H14ClN5O — CID 126814768

IUPAC2-[4-[(6-chloro-2,3-dihydroindol-1-yl)methyl]triazol-1-yl]acetamide
SMILESNC(=O)Cn1cc(CN2CCc3ccc(Cl)cc32)nn1
InChIInChI=1S/C13H14ClN5O/c14-10-2-1-9-3-4-18(12(9)5-10)6-11-7-19(17-16-11)8-13(15)20/h1-2,5,7H,3-4,6,8H2,(H2,15,20)
InChIKeyYHEBEUIAFNDGPR-UHFFFAOYSA-N
MW291.74 g/mol
LogP0.98
Rot. Bonds4

About 2-[4-[(6-chloro-2,3-dihydroindol-1-yl)methyl]triazol-1-yl]acetamide

2-[4-[(6-chloro-2,3-dihydroindol-1-yl)methyl]triazol-1-yl]acetamide (PubChem CID 126814768) has the molecular formula C13H14ClN5O and a molecular weight of 291.74 g/mol. Its IUPAC name is 2-[4-[(6-chloro-2,3-dihydroindol-1-yl)methyl]triazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[(6-chloro-2,3-dihydroindol-1-yl)methyl]triazol-1-yl]acetamide
PubChem CID126814768
Molecular FormulaC13H14ClN5O
Molecular Weight291.74 g/mol
Exact Mass291.09
IUPAC Name2-[4-[(6-chloro-2,3-dihydroindol-1-yl)methyl]triazol-1-yl]acetamide
SMILESNC(=O)Cn1cc(CN2CCc3ccc(Cl)cc32)nn1
InChIInChI=1S/C13H14ClN5O/c14-10-2-1-9-3-4-18(12(9)5-10)6-11-7-19(17-16-11)8-13(15)20/h1-2,5,7H,3-4,6,8H2,(H2,15,20)
InChIKeyYHEBEUIAFNDGPR-UHFFFAOYSA-N
XLogP0.98
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-[(6-chloro-2,3-dihydroindol-1-yl)methyl]triazol-1-yl]acetamide 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 2-[4-[(6-chloro-2,3-dihydroindol-1-yl)methyl]triazol-1-yl]acetamide?
The IUPAC name of 2-[4-[(6-chloro-2,3-dihydroindol-1-yl)methyl]triazol-1-yl]acetamide (CID 126814768) is 2-[4-[(6-chloro-2,3-dihydroindol-1-yl)methyl]triazol-1-yl]acetamide.
What is the SMILES notation for 2-[4-[(6-chloro-2,3-dihydroindol-1-yl)methyl]triazol-1-yl]acetamide?
The canonical SMILES for 2-[4-[(6-chloro-2,3-dihydroindol-1-yl)methyl]triazol-1-yl]acetamide is NC(=O)Cn1cc(CN2CCc3ccc(Cl)cc32)nn1.
What is the InChIKey of 2-[4-[(6-chloro-2,3-dihydroindol-1-yl)methyl]triazol-1-yl]acetamide?
The InChIKey is YHEBEUIAFNDGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN5O/c14-10-2-1-9-3-4-18(12(9)5-10)6-11-7-19(17-16-11)8-13(15)20/h1-2,5,7H,3-4,6,8H2,(H2,15,20).
What are the key properties of 2-[4-[(6-chloro-2,3-dihydroindol-1-yl)methyl]triazol-1-yl]acetamide?
2-[4-[(6-chloro-2,3-dihydroindol-1-yl)methyl]triazol-1-yl]acetamide has a molecular weight of 291.74 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(6-chloro-2,3-dihydroindol-1-yl)methyl]triazol-1-yl]acetamide is sourced from PubChem (CID 126814768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).