2-(4-aminotriazol-1-yl)-N-(2-methyl-1H-indol-3-yl)acetamide

C13H14N6O — CID 112527109

IUPAC2-(4-aminotriazol-1-yl)-N-(2-methyl-1H-indol-3-yl)acetamide
SMILESCc1[nH]c2ccccc2c1NC(=O)Cn1cc(N)nn1
InChIInChI=1S/C13H14N6O/c1-8-13(9-4-2-3-5-10(9)15-8)16-12(20)7-19-6-11(14)17-18-19/h2-6,15H,7,14H2,1H3,(H,16,20)
InChIKeyVIEZWSBDGDAMEJ-UHFFFAOYSA-N
MW270.30 g/mol
LogP1.29
Rot. Bonds3

About 2-(4-aminotriazol-1-yl)-N-(2-methyl-1H-indol-3-yl)acetamide

2-(4-aminotriazol-1-yl)-N-(2-methyl-1H-indol-3-yl)acetamide (PubChem CID 112527109) has the molecular formula C13H14N6O and a molecular weight of 270.30 g/mol. Its IUPAC name is 2-(4-aminotriazol-1-yl)-N-(2-methyl-1H-indol-3-yl)acetamide.

Molecular Properties

Compound Name2-(4-aminotriazol-1-yl)-N-(2-methyl-1H-indol-3-yl)acetamide
PubChem CID112527109
Molecular FormulaC13H14N6O
Molecular Weight270.30 g/mol
Exact Mass270.12
IUPAC Name2-(4-aminotriazol-1-yl)-N-(2-methyl-1H-indol-3-yl)acetamide
SMILESCc1[nH]c2ccccc2c1NC(=O)Cn1cc(N)nn1
InChIInChI=1S/C13H14N6O/c1-8-13(9-4-2-3-5-10(9)15-8)16-12(20)7-19-6-11(14)17-18-19/h2-6,15H,7,14H2,1H3,(H,16,20)
InChIKeyVIEZWSBDGDAMEJ-UHFFFAOYSA-N
XLogP1.29
TPSA101.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3,3-dimethyl-N-(2-methyl-1H-indol-3-yl)butanamide
CID 146109310
4-amino-4-methyl-N-(2-methyl-1H-indol-3-yl)pentanamide
CID 115157504
N-(2-methyl-1H-indol-3-yl)octanamide
CID 146096464
2-(4-aminotriazol-1-yl)-N-(2-ethoxyphenyl)acetamide
CID 112522674
methyl N-[2-[2-[(2-methyl-1H-indol-3-yl)amino]-2-oxoethyl]triazol-4-yl]carbamate
CID 112527147
2-(aminomethyl)-N-(2-methyl-1H-indol-3-yl)butanamide
CID 115186828
2-(1-methylcyclohexyl)-N-(2-methyl-1H-indol-3-yl)acetamide
CID 146096465
2-(4-aminotriazol-1-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 112522186
2-[4-[[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]methyl]triazol-1-yl]acetic acid
CID 120697865
2-(4-aminotriazol-1-yl)-N-(cyanomethyl)acetamide
CID 165479292
2-(4-aminotriazol-1-yl)-N-pentan-3-ylacetamide
CID 165480854
2-(2,3-dihydro-1H-isoindol-1-yl)-N-(2-methyl-1H-indol-3-yl)acetamide
CID 166329396

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminotriazol-1-yl)-N-(2-methyl-1H-indol-3-yl)acetamide?
The IUPAC name of 2-(4-aminotriazol-1-yl)-N-(2-methyl-1H-indol-3-yl)acetamide (CID 112527109) is 2-(4-aminotriazol-1-yl)-N-(2-methyl-1H-indol-3-yl)acetamide.
What is the SMILES notation for 2-(4-aminotriazol-1-yl)-N-(2-methyl-1H-indol-3-yl)acetamide?
The canonical SMILES for 2-(4-aminotriazol-1-yl)-N-(2-methyl-1H-indol-3-yl)acetamide is Cc1[nH]c2ccccc2c1NC(=O)Cn1cc(N)nn1.
What is the InChIKey of 2-(4-aminotriazol-1-yl)-N-(2-methyl-1H-indol-3-yl)acetamide?
The InChIKey is VIEZWSBDGDAMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6O/c1-8-13(9-4-2-3-5-10(9)15-8)16-12(20)7-19-6-11(14)17-18-19/h2-6,15H,7,14H2,1H3,(H,16,20).
What are the key properties of 2-(4-aminotriazol-1-yl)-N-(2-methyl-1H-indol-3-yl)acetamide?
2-(4-aminotriazol-1-yl)-N-(2-methyl-1H-indol-3-yl)acetamide has a molecular weight of 270.30 g/mol, XLogP of 1.29, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminotriazol-1-yl)-N-(2-methyl-1H-indol-3-yl)acetamide is sourced from PubChem (CID 112527109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).