methyl N-[2-[2-[(2-methyl-1H-indol-3-yl)amino]-2-oxoethyl]triazol-4-yl]carbamate

C15H16N6O3 — CID 112527147

IUPACmethyl N-[2-[2-[(2-methyl-1H-indol-3-yl)amino]-2-oxoethyl]triazol-4-yl]carbamate
SMILESCOC(=O)Nc1cnn(CC(=O)Nc2c(C)[nH]c3ccccc23)n1
InChIInChI=1S/C15H16N6O3/c1-9-14(10-5-3-4-6-11(10)17-9)19-13(22)8-21-16-7-12(20-21)18-15(23)24-2/h3-7,17H,8H2,1-2H3,(H,19,22)(H,18,20,23)
InChIKeyBSDCFHWHLKWNNB-UHFFFAOYSA-N
MW328.33 g/mol
LogP1.88
Rot. Bonds4

About methyl N-[2-[2-[(2-methyl-1H-indol-3-yl)amino]-2-oxoethyl]triazol-4-yl]carbamate

methyl N-[2-[2-[(2-methyl-1H-indol-3-yl)amino]-2-oxoethyl]triazol-4-yl]carbamate (PubChem CID 112527147) has the molecular formula C15H16N6O3 and a molecular weight of 328.33 g/mol. Its IUPAC name is methyl N-[2-[2-[(2-methyl-1H-indol-3-yl)amino]-2-oxoethyl]triazol-4-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-[2-[(2-methyl-1H-indol-3-yl)amino]-2-oxoethyl]triazol-4-yl]carbamate
PubChem CID112527147
Molecular FormulaC15H16N6O3
Molecular Weight328.33 g/mol
Exact Mass328.13
IUPAC Namemethyl N-[2-[2-[(2-methyl-1H-indol-3-yl)amino]-2-oxoethyl]triazol-4-yl]carbamate
SMILESCOC(=O)Nc1cnn(CC(=O)Nc2c(C)[nH]c3ccccc23)n1
InChIInChI=1S/C15H16N6O3/c1-9-14(10-5-3-4-6-11(10)17-9)19-13(22)8-21-16-7-12(20-21)18-15(23)24-2/h3-7,17H,8H2,1-2H3,(H,19,22)(H,18,20,23)
InChIKeyBSDCFHWHLKWNNB-UHFFFAOYSA-N
XLogP1.88
TPSA113.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze methyl N-[2-[2-[(2-methyl-1H-indol-3-yl)amino]-2-oxoethyl]triazol-4-yl]carbamate with MolForge

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

Launch Full Analysis

Related Compounds

methyl N-[2-[2-oxo-2-(pyrimidin-4-ylamino)ethyl]triazol-4-yl]carbamate
CID 112524310
methyl N-[2-[2-[(2-methylpyrazol-3-yl)amino]-2-oxoethyl]triazol-4-yl]carbamate
CID 112524871
2-(4-aminotriazol-1-yl)-N-(2-methyl-1H-indol-3-yl)acetamide
CID 112527109
methyl N-[2-[2-(3H-benzimidazol-5-ylamino)-2-oxoethyl]triazol-4-yl]carbamate
CID 112527416
3,3-dimethyl-N-(2-methyl-1H-indol-3-yl)butanamide
CID 146109310
2-[4-(dimethylcarbamoylamino)triazol-2-yl]-N-(2-methyl-1H-indol-4-yl)acetamide
CID 112526516
N-(2-methyl-1H-indol-3-yl)octanamide
CID 146096464
ethyl N-[2-[2-(2,3-dimethylanilino)-2-oxoethyl]triazol-4-yl]carbamate
CID 112522584
4-amino-4-methyl-N-(2-methyl-1H-indol-3-yl)pentanamide
CID 115157504
ethyl N-[2-(2-amino-2-oxoethyl)triazol-4-yl]carbamate
CID 112520587
2-(1-methylcyclohexyl)-N-(2-methyl-1H-indol-3-yl)acetamide
CID 146096465
methyl 3-[[2-(azepan-1-yl)acetyl]amino]-1H-indole-2-carboxylate
CID 658228

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[2-[(2-methyl-1H-indol-3-yl)amino]-2-oxoethyl]triazol-4-yl]carbamate?
The IUPAC name of methyl N-[2-[2-[(2-methyl-1H-indol-3-yl)amino]-2-oxoethyl]triazol-4-yl]carbamate (CID 112527147) is methyl N-[2-[2-[(2-methyl-1H-indol-3-yl)amino]-2-oxoethyl]triazol-4-yl]carbamate.
What is the SMILES notation for methyl N-[2-[2-[(2-methyl-1H-indol-3-yl)amino]-2-oxoethyl]triazol-4-yl]carbamate?
The canonical SMILES for methyl N-[2-[2-[(2-methyl-1H-indol-3-yl)amino]-2-oxoethyl]triazol-4-yl]carbamate is COC(=O)Nc1cnn(CC(=O)Nc2c(C)[nH]c3ccccc23)n1.
What is the InChIKey of methyl N-[2-[2-[(2-methyl-1H-indol-3-yl)amino]-2-oxoethyl]triazol-4-yl]carbamate?
The InChIKey is BSDCFHWHLKWNNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O3/c1-9-14(10-5-3-4-6-11(10)17-9)19-13(22)8-21-16-7-12(20-21)18-15(23)24-2/h3-7,17H,8H2,1-2H3,(H,19,22)(H,18,20,23).
What are the key properties of methyl N-[2-[2-[(2-methyl-1H-indol-3-yl)amino]-2-oxoethyl]triazol-4-yl]carbamate?
methyl N-[2-[2-[(2-methyl-1H-indol-3-yl)amino]-2-oxoethyl]triazol-4-yl]carbamate has a molecular weight of 328.33 g/mol, XLogP of 1.88, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[2-[(2-methyl-1H-indol-3-yl)amino]-2-oxoethyl]triazol-4-yl]carbamate is sourced from PubChem (CID 112527147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).