2-(2-methyl-1H-indol-3-yl)-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]acetamide

C14H15N5O2 — CID 137200070

IUPAC2-(2-methyl-1H-indol-3-yl)-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]acetamide
SMILESCc1[nH]c2ccccc2c1CC(=O)NCc1n[nH]c(=O)[nH]1
InChIInChI=1S/C14H15N5O2/c1-8-10(9-4-2-3-5-11(9)16-8)6-13(20)15-7-12-17-14(21)19-18-12/h2-5,16H,6-7H2,1H3,(H,15,20)(H2,17,18,19,21)
InChIKeyUXMJQVVLBLMPFG-UHFFFAOYSA-N
MW285.31 g/mol
LogP0.75
Rot. Bonds4

About 2-(2-methyl-1H-indol-3-yl)-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]acetamide

2-(2-methyl-1H-indol-3-yl)-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]acetamide (PubChem CID 137200070) has the molecular formula C14H15N5O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is 2-(2-methyl-1H-indol-3-yl)-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-methyl-1H-indol-3-yl)-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]acetamide
PubChem CID137200070
Molecular FormulaC14H15N5O2
Molecular Weight285.31 g/mol
Exact Mass285.12
IUPAC Name2-(2-methyl-1H-indol-3-yl)-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]acetamide
SMILESCc1[nH]c2ccccc2c1CC(=O)NCc1n[nH]c(=O)[nH]1
InChIInChI=1S/C14H15N5O2/c1-8-10(9-4-2-3-5-11(9)16-8)6-13(20)15-7-12-17-14(21)19-18-12/h2-5,16H,6-7H2,1H3,(H,15,20)(H2,17,18,19,21)
InChIKeyUXMJQVVLBLMPFG-UHFFFAOYSA-N
XLogP0.75
TPSA106.43 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 50.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

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2-(2-methyl-1H-indol-3-yl)-N-(2-phenylethyl)acetamide
CID 31852687
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CID 86925978
N-(3-hydroxy-2-methylpropyl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 65036979
N-(2,3-dihydroxypropyl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 66175804
2-(2-methyl-1H-indol-3-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 31986763
N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 55713643
2-(2-methyl-1H-indol-3-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 56755966

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1H-indol-3-yl)-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]acetamide?
The IUPAC name of 2-(2-methyl-1H-indol-3-yl)-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]acetamide (CID 137200070) is 2-(2-methyl-1H-indol-3-yl)-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]acetamide.
What is the SMILES notation for 2-(2-methyl-1H-indol-3-yl)-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]acetamide?
The canonical SMILES for 2-(2-methyl-1H-indol-3-yl)-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]acetamide is Cc1[nH]c2ccccc2c1CC(=O)NCc1n[nH]c(=O)[nH]1.
What is the InChIKey of 2-(2-methyl-1H-indol-3-yl)-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]acetamide?
The InChIKey is UXMJQVVLBLMPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2/c1-8-10(9-4-2-3-5-11(9)16-8)6-13(20)15-7-12-17-14(21)19-18-12/h2-5,16H,6-7H2,1H3,(H,15,20)(H2,17,18,19,21).
What are the key properties of 2-(2-methyl-1H-indol-3-yl)-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]acetamide?
2-(2-methyl-1H-indol-3-yl)-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]acetamide has a molecular weight of 285.31 g/mol, XLogP of 0.75, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1H-indol-3-yl)-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]acetamide is sourced from PubChem (CID 137200070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).