2-(2-methyl-1H-indol-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide

C14H15N5O — CID 60982936

IUPAC2-(2-methyl-1H-indol-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
SMILESCc1[nH]c2ccccc2c1CC(=O)NCc1ncn[nH]1
InChIInChI=1S/C14H15N5O/c1-9-11(10-4-2-3-5-12(10)18-9)6-14(20)15-7-13-16-8-17-19-13/h2-5,8,18H,6-7H2,1H3,(H,15,20)(H,16,17,19)
InChIKeyLYRZUUXHCIKCPT-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.45
Rot. Bonds4

About 2-(2-methyl-1H-indol-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide

2-(2-methyl-1H-indol-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide (PubChem CID 60982936) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 2-(2-methyl-1H-indol-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2-methyl-1H-indol-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
PubChem CID60982936
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name2-(2-methyl-1H-indol-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
SMILESCc1[nH]c2ccccc2c1CC(=O)NCc1ncn[nH]1
InChIInChI=1S/C14H15N5O/c1-9-11(10-4-2-3-5-12(10)18-9)6-14(20)15-7-13-16-8-17-19-13/h2-5,8,18H,6-7H2,1H3,(H,15,20)(H,16,17,19)
InChIKeyLYRZUUXHCIKCPT-UHFFFAOYSA-N
XLogP1.45
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[6-(2-fluorophenyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-1H-indole-2-carboxamide
CID 13822922
2-amino-N-[(1R)-2-(1H-indol-3-yl)-1-[4-phenyl-5-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]ethyl]acetamide
CID 23648233
(2S)-2-amino-N-[(1R)-1-{4-[(4-ethylphenyl)methyl]-5-(2-phenylethyl)-4H-1,2,4-triazol-3-yl}-2-(1H-indol-3-yl)ethyl]propanamide
CID 23648238
(R)-N-(1-(4-(2-(1H-indol-3-yl)ethyl)-4H-1,2,4-triazol-3-yl)-2-(1H-indol-3-yl)ethyl)-2-amino-2-methylpropanamide
CID 16113474
(R)-N-(1-(5-(2-(1H-indol-3-yl)ethyl)-4-methyl-4H-1,2,4-triazol-3-yl)-2-(1H-indol-3-yl)ethyl)-2-amino-2-methylpropanamide
CID 16113583
(R)-N-(1-(4-(4-fluorobenzyl)-5-benzyl-4H-1,2,4-triazol-3-yl)-2-(1H-indol-3-yl)ethyl)-2-amino-2-methylpropanamide
CID 16114012
(R)-2-amino-N-(1-(5-benzyl-4-(pyridin-2-ylmethyl)-4H-1,2,4-triazol-3-yl)-2-(1H-indol-3-yl)ethyl)-2-methylpropanamide
CID 16114183
2-amino-N-[(1R)-1-[5-benzyl-4-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]-2-(1H-indol-3-yl)ethyl]-2-methylpropanamide
CID 16202767
(R)-2-amino-N-(1-(5-benzyl-4-phenethyl-4H-1,2,4-triazol-3-yl)-2-(1H-indol-3-yl)ethyl)-2-methylpropanamide
CID 16204131
2-amino-N-[(1R)-1-(4,5-dibenzyl-1,2,4-triazol-3-yl)-2-(1H-indol-3-yl)ethyl]-2-methylpropanamide
CID 16204145
2-amino-N-((R)-1-(5-benzyl-4-hexyl-4H-1,2,4-triazol-3-yl)-2-(1H-indol-3-yl)ethyl)-2-methylpropanamide
CID 16204226
N-((R)-2-(1H-indol-3-yl)-1-(4,5-diphenethyl-4H-1,2,4-triazol-3-yl)ethyl)-2-amino-2-methylpropanamide
CID 16204241

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1H-indol-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
The IUPAC name of 2-(2-methyl-1H-indol-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide (CID 60982936) is 2-(2-methyl-1H-indol-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide.
What is the SMILES notation for 2-(2-methyl-1H-indol-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
The canonical SMILES for 2-(2-methyl-1H-indol-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide is Cc1[nH]c2ccccc2c1CC(=O)NCc1ncn[nH]1.
What is the InChIKey of 2-(2-methyl-1H-indol-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
The InChIKey is LYRZUUXHCIKCPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-9-11(10-4-2-3-5-12(10)18-9)6-14(20)15-7-13-16-8-17-19-13/h2-5,8,18H,6-7H2,1H3,(H,15,20)(H,16,17,19).
What are the key properties of 2-(2-methyl-1H-indol-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
2-(2-methyl-1H-indol-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide has a molecular weight of 269.31 g/mol, XLogP of 1.45, 4 rotatable bonds, 3 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-(1H-1,2,4-triazol-5-ylmethyl)acetamide is sourced from PubChem (CID 60982936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).